TMMagCat - Tailoring Molecular Magnets and Catalysts Based on Transition Metal Complexes

Link to this page

info:eu-repo/grantAgreement/ScienceFundRS/Ideje/7750288/RS//

TMMagCat - Tailoring Molecular Magnets and Catalysts Based on Transition Metal Complexes (en)
Authors

Publications

Putovanje kroz koordinacionu hemiju - razumevanje metal-ligand veza

Zlatar, Matija

(2024)

TY  - GEN
AU  - Zlatar, Matija
PY  - 2024
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7557
AB  - Primarna težnja modernih hemijskih istraživanja je proširenje znanja koja se tiču svojstava jednog molekula i primene tih osobina za postizanje željene funkcije. Elektronska struktura molekula primarno određuje sve njegove osobine. U slučaju kompleksa prelaznih metala, elektronska struktura zavisi od broja, geometrije i karaktera mezal-ligand veza. Potrebno je razumeti veliki broj mogućih uticaja, kao što su uticaj koordinacionog broja, simetrije, jačine ligandnog polja, spin-orbitalne sprege, spinskog i oksidacionog stanja, redoks potencijala, lokalizacije naelektrisanja i spina, elektronske degeneracije, itd. Konačno, potpuno razumevanje elektronske struktura kompleksa zahteva istraživanja koja prevazilaze samo osnovna elektronska stanja, tj. razmatranje i ekscitovanih stanja [4]. U ovom predavanju će biti predstavljeni naši napori u razumevanju i kontroli metal-ligand veza na osnovu proračuna zasnovanih na teoriji funkcionalne gustine (DFT). Pored toga, biće prikazan niz primera koji pokazuju kako se eksperimentalni rezultati i osobine koordinacionih jedinjenja mogu racionalizovati korišćenjem DFT proračuna.
T1  - Putovanje kroz koordinacionu hemiju - razumevanje metal-ligand veza
ER  - 
@misc{
author = "Zlatar, Matija",
year = "2024",
abstract = "Primarna težnja modernih hemijskih istraživanja je proširenje znanja koja se tiču svojstava jednog molekula i primene tih osobina za postizanje željene funkcije. Elektronska struktura molekula primarno određuje sve njegove osobine. U slučaju kompleksa prelaznih metala, elektronska struktura zavisi od broja, geometrije i karaktera mezal-ligand veza. Potrebno je razumeti veliki broj mogućih uticaja, kao što su uticaj koordinacionog broja, simetrije, jačine ligandnog polja, spin-orbitalne sprege, spinskog i oksidacionog stanja, redoks potencijala, lokalizacije naelektrisanja i spina, elektronske degeneracije, itd. Konačno, potpuno razumevanje elektronske struktura kompleksa zahteva istraživanja koja prevazilaze samo osnovna elektronska stanja, tj. razmatranje i ekscitovanih stanja [4]. U ovom predavanju će biti predstavljeni naši napori u razumevanju i kontroli metal-ligand veza na osnovu proračuna zasnovanih na teoriji funkcionalne gustine (DFT). Pored toga, biće prikazan niz primera koji pokazuju kako se eksperimentalni rezultati i osobine koordinacionih jedinjenja mogu racionalizovati korišćenjem DFT proračuna.",
title = "Putovanje kroz koordinacionu hemiju - razumevanje metal-ligand veza"
}
Zlatar, M.. (2024). Putovanje kroz koordinacionu hemiju - razumevanje metal-ligand veza. .
Zlatar M. Putovanje kroz koordinacionu hemiju - razumevanje metal-ligand veza. 2024;..
Zlatar, Matija, "Putovanje kroz koordinacionu hemiju - razumevanje metal-ligand veza" (2024).

Synthesis, characterization and evaluation of catalytic properties of Zn(II) complexes

Adejumo, Temiloluwa T.

(Универзитет у Београду, Хемијски факултет, 2024)

TY  - THES
AU  - Adejumo, Temiloluwa T.
PY  - 2024
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7556
AB  - In this study, a series of novel zinc complexes have been synthesised and thoroughly characterized. Two of the complexes were prepared from the ligands obtained from derivatives of 2-acetylthiazole, and another two from the derivative of Girard's reagents T and P. These complexes featured tridentate coordinating ligands of hydrazone with NNS or NNO donating atoms and were characterized by elemental analysis, spectroscopic techniques and single crystal XRD methods. In addition to these new complexes, the study also included a catalytic study of five analogues previously synthesized, each containing ligands with the same donor atom sets. The primary aim of this research was to evaluate the catalytic potential of these complexes in the 
coupling reaction of KA2, leading to the synthesis of tetrasubstituted propargylamines, which are 
commonly used as intermediates in organic synthesis, providing easy access to a wide range of 
structurally complex organic compounds. A number of model reactants were used to optimise the
KA2 reaction conditions. To further investigate the catalytic activity of the Zn(II) complex, additional 
tests were then carried out on the most reactive compounds using a variety of substrate combinations. In order to better understand the electronic structure of the complexes and how it correlates with catalytic reactivity, the study employed density functional theory (DFT) calculations. Based on the Conceptual DFT framework the study derived several global molecular reactivity descriptors, including chemical potential (µ), hardness (η), softness (S), electronegativity (χ), and electrophilic index (ω). These descriptors provided valuable insights into how reactive and stable complexes are.
AB  - U ovoj tezi, sintetisana je i detaljno okarakterisana serija novih kompleksa Zn(II). Dva kompleksa su dobijena polazeći od liganda derivata 2-acetiltiazola, a druga dva od derivata Žirarovih T i P
reagenasa. Ovi kompleksi sadrže ligande na bazi tridentatnih hidrazona, sa NNO ili NNS donorskim setom atoma, i okarakterisani su elementalnom analizom, infracrvenom (IC) i nuklearno magnetno rezonantnom (NMR) spektroskopijom i metodom difrakcije rendgenskih zraka na monokristalima. Pored novih kompleksa Zn(II), studija je takođe uključila i pet prethodno sintetisanih analoga, koji sadrže ligande sa istim donorskim setom atoma. Glavni cilj ovog istraživanja bio je evaluacija katalitičkog potencijala kompleksa Zn(II), u reakciji keto-amin-alkin (KA2) kuplovanja, koja kao proizvod daje tetrasupstituisane propargilamine. Propargilamini se najčešće koriste kao intermedijeri u organskim sintezama, omogućavajući lak pristup širokom spektru kompleksnih organskih jedinjenja. Prilikom optimizacije KA2 reakcije korišćeni su različiti model sistemi. Kako bi se dodatna ispitala katalitička aktivnost kompleksa Zn(II), za nejreaktivnija jedinjenja, se potom pratio uticaj promenom polaznih supstrata na reaktivnost. DFT proračuni su izvedeni da bi se razjasnila elektronska struktura ispitivanih kompleksa Zn(II), odlično povezujući strukturu kompleksa sa njihovom katalitičkom aktivnošću. Na osnovu Konceptualne teorije funkcionala gustine, izračunati su globalni molekulski deskriptori reaktivnosti, kao što su hemijski potencijal (µ), tvrdoća (η), mekoća (S), elektronegativnost (χ) i indeks elektrofilnosti (ω). Ovi deskriptori su pružili uvid u to koliko su proučavani kompleksi reaktivni i stabilni.
PB  - Универзитет у Београду, Хемијски факултет
T2  - Универзитет у Београду
T1  - Synthesis, characterization and evaluation of catalytic properties of Zn(II) complexes
T1  - Синтеза, карактеризација и испитивање каталитичких својстава комплекса Zn(II)
ER  - 
@phdthesis{
author = "Adejumo, Temiloluwa T.",
year = "2024",
abstract = "In this study, a series of novel zinc complexes have been synthesised and thoroughly characterized. Two of the complexes were prepared from the ligands obtained from derivatives of 2-acetylthiazole, and another two from the derivative of Girard's reagents T and P. These complexes featured tridentate coordinating ligands of hydrazone with NNS or NNO donating atoms and were characterized by elemental analysis, spectroscopic techniques and single crystal XRD methods. In addition to these new complexes, the study also included a catalytic study of five analogues previously synthesized, each containing ligands with the same donor atom sets. The primary aim of this research was to evaluate the catalytic potential of these complexes in the 
coupling reaction of KA2, leading to the synthesis of tetrasubstituted propargylamines, which are 
commonly used as intermediates in organic synthesis, providing easy access to a wide range of 
structurally complex organic compounds. A number of model reactants were used to optimise the
KA2 reaction conditions. To further investigate the catalytic activity of the Zn(II) complex, additional 
tests were then carried out on the most reactive compounds using a variety of substrate combinations. In order to better understand the electronic structure of the complexes and how it correlates with catalytic reactivity, the study employed density functional theory (DFT) calculations. Based on the Conceptual DFT framework the study derived several global molecular reactivity descriptors, including chemical potential (µ), hardness (η), softness (S), electronegativity (χ), and electrophilic index (ω). These descriptors provided valuable insights into how reactive and stable complexes are., U ovoj tezi, sintetisana je i detaljno okarakterisana serija novih kompleksa Zn(II). Dva kompleksa su dobijena polazeći od liganda derivata 2-acetiltiazola, a druga dva od derivata Žirarovih T i P
reagenasa. Ovi kompleksi sadrže ligande na bazi tridentatnih hidrazona, sa NNO ili NNS donorskim setom atoma, i okarakterisani su elementalnom analizom, infracrvenom (IC) i nuklearno magnetno rezonantnom (NMR) spektroskopijom i metodom difrakcije rendgenskih zraka na monokristalima. Pored novih kompleksa Zn(II), studija je takođe uključila i pet prethodno sintetisanih analoga, koji sadrže ligande sa istim donorskim setom atoma. Glavni cilj ovog istraživanja bio je evaluacija katalitičkog potencijala kompleksa Zn(II), u reakciji keto-amin-alkin (KA2) kuplovanja, koja kao proizvod daje tetrasupstituisane propargilamine. Propargilamini se najčešće koriste kao intermedijeri u organskim sintezama, omogućavajući lak pristup širokom spektru kompleksnih organskih jedinjenja. Prilikom optimizacije KA2 reakcije korišćeni su različiti model sistemi. Kako bi se dodatna ispitala katalitička aktivnost kompleksa Zn(II), za nejreaktivnija jedinjenja, se potom pratio uticaj promenom polaznih supstrata na reaktivnost. DFT proračuni su izvedeni da bi se razjasnila elektronska struktura ispitivanih kompleksa Zn(II), odlično povezujući strukturu kompleksa sa njihovom katalitičkom aktivnošću. Na osnovu Konceptualne teorije funkcionala gustine, izračunati su globalni molekulski deskriptori reaktivnosti, kao što su hemijski potencijal (µ), tvrdoća (η), mekoća (S), elektronegativnost (χ) i indeks elektrofilnosti (ω). Ovi deskriptori su pružili uvid u to koliko su proučavani kompleksi reaktivni i stabilni.",
publisher = "Универзитет у Београду, Хемијски факултет",
journal = "Универзитет у Београду",
title = "Synthesis, characterization and evaluation of catalytic properties of Zn(II) complexes, Синтеза, карактеризација и испитивање каталитичких својстава комплекса Zn(II)"
}
Adejumo, T. T.. (2024). Synthesis, characterization and evaluation of catalytic properties of Zn(II) complexes. in Универзитет у Београду
Универзитет у Београду, Хемијски факултет..
Adejumo TT. Synthesis, characterization and evaluation of catalytic properties of Zn(II) complexes. in Универзитет у Београду. 2024;..
Adejumo, Temiloluwa T., "Synthesis, characterization and evaluation of catalytic properties of Zn(II) complexes" in Универзитет у Београду (2024).

Insight into the excited state dynamics of transition metal complexes

Zlatar, Matija

(Tbilisi, Georgia : Ivane Javakhishvili Tbilisi State University, 2024)

TY  - CONF
AU  - Zlatar, Matija
PY  - 2024
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7555
AB  - A complete understanding of the electronic structure of transition metal complexes requires an
understanding of both the ground and excited states and their mutual influence. In addition, to get a complete picture, it is necessary to understand how the nuclei adapt upon electronic excitation. Thus, it is essential to go beyond a static understanding of molecular structure. The simplest computational approach is to study potential energy curves along specific reaction coordinates. Another practical approach is to use mixed quantum-classical non-adiabatic dynamics. Examples that will be discussed in this talk include mechanistic details of several fascinating phenomena in coordination chemistry - excited state linkage isomerization, excited state ligand dissociation, and excited state spin-state switching. It will be emphasized that understanding the role of excited states in transition metal complexes provides valuable insights into their properties and potential applications.
PB  - Tbilisi, Georgia : Ivane Javakhishvili Tbilisi State University
C3  - The Eighth International Conference "Dynamics of Systems on the Nanoscale" and the Third Annual Conference of the COST Action "Multiscale Irradiation and Chemistry Driven Processes and Related Technologies", DySoN-MultIChem 2024, Book of Abstracts, Tbilisi, Georgia, April 08-12, 2024
T1  - Insight into the excited state dynamics of transition metal complexes
SP  - 65
EP  - 65
ER  - 
@conference{
author = "Zlatar, Matija",
year = "2024",
abstract = "A complete understanding of the electronic structure of transition metal complexes requires an
understanding of both the ground and excited states and their mutual influence. In addition, to get a complete picture, it is necessary to understand how the nuclei adapt upon electronic excitation. Thus, it is essential to go beyond a static understanding of molecular structure. The simplest computational approach is to study potential energy curves along specific reaction coordinates. Another practical approach is to use mixed quantum-classical non-adiabatic dynamics. Examples that will be discussed in this talk include mechanistic details of several fascinating phenomena in coordination chemistry - excited state linkage isomerization, excited state ligand dissociation, and excited state spin-state switching. It will be emphasized that understanding the role of excited states in transition metal complexes provides valuable insights into their properties and potential applications.",
publisher = "Tbilisi, Georgia : Ivane Javakhishvili Tbilisi State University",
journal = "The Eighth International Conference "Dynamics of Systems on the Nanoscale" and the Third Annual Conference of the COST Action "Multiscale Irradiation and Chemistry Driven Processes and Related Technologies", DySoN-MultIChem 2024, Book of Abstracts, Tbilisi, Georgia, April 08-12, 2024",
title = "Insight into the excited state dynamics of transition metal complexes",
pages = "65-65"
}
Zlatar, M.. (2024). Insight into the excited state dynamics of transition metal complexes. in The Eighth International Conference "Dynamics of Systems on the Nanoscale" and the Third Annual Conference of the COST Action "Multiscale Irradiation and Chemistry Driven Processes and Related Technologies", DySoN-MultIChem 2024, Book of Abstracts, Tbilisi, Georgia, April 08-12, 2024
Tbilisi, Georgia : Ivane Javakhishvili Tbilisi State University., 65-65.
Zlatar M. Insight into the excited state dynamics of transition metal complexes. in The Eighth International Conference "Dynamics of Systems on the Nanoscale" and the Third Annual Conference of the COST Action "Multiscale Irradiation and Chemistry Driven Processes and Related Technologies", DySoN-MultIChem 2024, Book of Abstracts, Tbilisi, Georgia, April 08-12, 2024. 2024;:65-65..
Zlatar, Matija, "Insight into the excited state dynamics of transition metal complexes" in The Eighth International Conference "Dynamics of Systems on the Nanoscale" and the Third Annual Conference of the COST Action "Multiscale Irradiation and Chemistry Driven Processes and Related Technologies", DySoN-MultIChem 2024, Book of Abstracts, Tbilisi, Georgia, April 08-12, 2024 (2024):65-65.

Silver(I) complexes containing antifungal azoles: significant improvement of the anti-Candida potential of the azole drug after its coordination to the silver(I) ion

Stanković, Mia; Kljun, Jakob; Stevanović, Nevena Lj.; Lazić, Jelena; Skaro Bogojevic, Sanja; Vojnović, Sandra; Zlatar, Matija; Nikodinović-Runić, Jasmina; Turel, Iztok; Đuran, Miloš; Glišić, Biljana

(Royal Society of Chemistry (RSC), 2024)

TY  - JOUR
AU  - Stanković, Mia
AU  - Kljun, Jakob
AU  - Stevanović, Nevena Lj.
AU  - Lazić, Jelena
AU  - Skaro Bogojevic, Sanja
AU  - Vojnović, Sandra
AU  - Zlatar, Matija
AU  - Nikodinović-Runić, Jasmina
AU  - Turel, Iztok
AU  - Đuran, Miloš
AU  - Glišić, Biljana
PY  - 2024
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7296
AB  - Inspired by the emergence of resistance to currently available antifungal therapy and by the great potential of metal complexes for the treatment of various diseases, we synthesized three new silver(I) complexes containing clinically used antifungal azoles as ligands, [Ag(ecz)2]SbF6 (1, ecz is econazole), {[Ag(vcz)2]SbF6}n (2, vcz is voriconazole), and [Ag(ctz)2]SbF6 (3, ctz is clotrimazole), and investigated their antimicrobial properties. The synthesized complexes were characterized by mass spectrometry, IR, UV-vis and 1H NMR spectroscopy, cyclic voltammetry, and single-crystal X-ray diffraction analysis. In the mononuclear complexes 1 and 3 with ecz and ctz, respectively, the silver(I) ion has the expected linear geometry, in which the azoles are monodentately coordinated to this metal center through the N3 imidazole nitrogen atom. In contrast, the vcz-containing complex 2 has a polymeric structure in the solid state in which the silver(I) ions are coordinated by four nitrogen atoms in a distorted tetrahedral geometry. DFT calculations were done to predict the most favorable structures of the studied complexes in DMSO solution. All the studied silver(I) complexes have shown excellent antifungal and good to moderate antibacterial activities with minimal inhibitory concentration (MIC) values in the ranges of 0.01–27.1 and 2.61–47.9 μM on the selected panel of fungi and bacteria, respectively. Importantly, the complexes 1–3 have exhibited a significantly improved antifungal activity compared to the free azoles, with the most pronounced effect observed in the case of complex 2 compared to the parent vcz against Candida glabrata with an increase of activity by five orders of magnitude. Moreover, the silver(I)-azole complexes 2 and 3 significantly inhibited the formation of C. albicans hyphae and biofilms at the subinhibitory concentration of 50% MIC. To investigate the impact of the complex 3 more thoroughly on Candida pathogenesis, its effect on the adherence of C. albicans to A549 cells (human adenocarcinoma alveolar basal epithelial cells), as an initial step of the invasion of host cells, was studied.
PB  - Royal Society of Chemistry (RSC)
T2  - Dalton Transactions
T1  - Silver(I) complexes containing antifungal azoles: significant improvement of the anti-Candida potential of the azole drug after its coordination to the silver(I) ion
VL  - 53
SP  - 2218
EP  - 2230
DO  - 10.1039/D3DT03010E
ER  - 
@article{
author = "Stanković, Mia and Kljun, Jakob and Stevanović, Nevena Lj. and Lazić, Jelena and Skaro Bogojevic, Sanja and Vojnović, Sandra and Zlatar, Matija and Nikodinović-Runić, Jasmina and Turel, Iztok and Đuran, Miloš and Glišić, Biljana",
year = "2024",
abstract = "Inspired by the emergence of resistance to currently available antifungal therapy and by the great potential of metal complexes for the treatment of various diseases, we synthesized three new silver(I) complexes containing clinically used antifungal azoles as ligands, [Ag(ecz)2]SbF6 (1, ecz is econazole), {[Ag(vcz)2]SbF6}n (2, vcz is voriconazole), and [Ag(ctz)2]SbF6 (3, ctz is clotrimazole), and investigated their antimicrobial properties. The synthesized complexes were characterized by mass spectrometry, IR, UV-vis and 1H NMR spectroscopy, cyclic voltammetry, and single-crystal X-ray diffraction analysis. In the mononuclear complexes 1 and 3 with ecz and ctz, respectively, the silver(I) ion has the expected linear geometry, in which the azoles are monodentately coordinated to this metal center through the N3 imidazole nitrogen atom. In contrast, the vcz-containing complex 2 has a polymeric structure in the solid state in which the silver(I) ions are coordinated by four nitrogen atoms in a distorted tetrahedral geometry. DFT calculations were done to predict the most favorable structures of the studied complexes in DMSO solution. All the studied silver(I) complexes have shown excellent antifungal and good to moderate antibacterial activities with minimal inhibitory concentration (MIC) values in the ranges of 0.01–27.1 and 2.61–47.9 μM on the selected panel of fungi and bacteria, respectively. Importantly, the complexes 1–3 have exhibited a significantly improved antifungal activity compared to the free azoles, with the most pronounced effect observed in the case of complex 2 compared to the parent vcz against Candida glabrata with an increase of activity by five orders of magnitude. Moreover, the silver(I)-azole complexes 2 and 3 significantly inhibited the formation of C. albicans hyphae and biofilms at the subinhibitory concentration of 50% MIC. To investigate the impact of the complex 3 more thoroughly on Candida pathogenesis, its effect on the adherence of C. albicans to A549 cells (human adenocarcinoma alveolar basal epithelial cells), as an initial step of the invasion of host cells, was studied.",
publisher = "Royal Society of Chemistry (RSC)",
journal = "Dalton Transactions",
title = "Silver(I) complexes containing antifungal azoles: significant improvement of the anti-Candida potential of the azole drug after its coordination to the silver(I) ion",
volume = "53",
pages = "2218-2230",
doi = "10.1039/D3DT03010E"
}
Stanković, M., Kljun, J., Stevanović, N. Lj., Lazić, J., Skaro Bogojevic, S., Vojnović, S., Zlatar, M., Nikodinović-Runić, J., Turel, I., Đuran, M.,& Glišić, B.. (2024). Silver(I) complexes containing antifungal azoles: significant improvement of the anti-Candida potential of the azole drug after its coordination to the silver(I) ion. in Dalton Transactions
Royal Society of Chemistry (RSC)., 53, 2218-2230.
https://doi.org/10.1039/D3DT03010E
Stanković M, Kljun J, Stevanović NL, Lazić J, Skaro Bogojevic S, Vojnović S, Zlatar M, Nikodinović-Runić J, Turel I, Đuran M, Glišić B. Silver(I) complexes containing antifungal azoles: significant improvement of the anti-Candida potential of the azole drug after its coordination to the silver(I) ion. in Dalton Transactions. 2024;53:2218-2230.
doi:10.1039/D3DT03010E .
Stanković, Mia, Kljun, Jakob, Stevanović, Nevena Lj., Lazić, Jelena, Skaro Bogojevic, Sanja, Vojnović, Sandra, Zlatar, Matija, Nikodinović-Runić, Jasmina, Turel, Iztok, Đuran, Miloš, Glišić, Biljana, "Silver(I) complexes containing antifungal azoles: significant improvement of the anti-Candida potential of the azole drug after its coordination to the silver(I) ion" in Dalton Transactions, 53 (2024):2218-2230,
https://doi.org/10.1039/D3DT03010E . .
4
1
1

The interplay between spin states, geometries and biological activity of Fe(III) and Mn(II) complexes with thiosemicarbazone

Stojičkov, Marko; Zlatar, Matija; Mazzeo, Paolo Pio; Bacchi, Alessia; Radanović, Dušanka; Stevanović, Nevena; Jevtović, Mima; Novaković, Irena; Anđelković, Katarina; Sladić, Dušan; Čobeljić, Božidar; Gruden, Maja

(Elsevier, 2023)

TY  - JOUR
AU  - Stojičkov, Marko
AU  - Zlatar, Matija
AU  - Mazzeo, Paolo Pio
AU  - Bacchi, Alessia
AU  - Radanović, Dušanka
AU  - Stevanović, Nevena
AU  - Jevtović, Mima
AU  - Novaković, Irena
AU  - Anđelković, Katarina
AU  - Sladić, Dušan
AU  - Čobeljić, Božidar
AU  - Gruden, Maja
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/6041
AB  - Fe(III) and Mn(II) complexes with condensation product of thiosemicarbazide and 2-acetylthiazole (HL1, (E)-2-(1-(thiazol-2-yl)ethylidene)hydrazine-1-carbothioamide) have been synthesized and characterized by single-crystal X-ray diffraction, IR spectroscopy, and elemental analysis. In both complexes, the thiosemicarbazone ligand is coordinated in deprotonated form through the NNS donor set of atoms. However, while Fe(III) complex is in the doublet ground state with distorted octahedral geometry, the coordination environment around Mn(II) is distorted trigonal-prismatic, and the sextet state is found to be the ground state. DFT calculations were performed to rationalize spin state preferences, and continuous shape measure describes the deviation from ideal six-coordinated polyhedral geometries in the ground and excited states. Antimicrobial activity (against a panel of Gram-negative and Gram-positive bacteria, two yeast, and one fungal strain), brine shrimp assay, and DPPH radical scavenging activity of both complexes were evaluated, and these results relate to the electronic structure of the complexes.
PB  - Elsevier
T2  - Polyhedron
T1  - The interplay between spin states, geometries and biological activity of Fe(III) and Mn(II) complexes with thiosemicarbazone
VL  - 237
SP  - 116389
DO  - 10.1016/j.poly.2023.116389
ER  - 
@article{
author = "Stojičkov, Marko and Zlatar, Matija and Mazzeo, Paolo Pio and Bacchi, Alessia and Radanović, Dušanka and Stevanović, Nevena and Jevtović, Mima and Novaković, Irena and Anđelković, Katarina and Sladić, Dušan and Čobeljić, Božidar and Gruden, Maja",
year = "2023",
abstract = "Fe(III) and Mn(II) complexes with condensation product of thiosemicarbazide and 2-acetylthiazole (HL1, (E)-2-(1-(thiazol-2-yl)ethylidene)hydrazine-1-carbothioamide) have been synthesized and characterized by single-crystal X-ray diffraction, IR spectroscopy, and elemental analysis. In both complexes, the thiosemicarbazone ligand is coordinated in deprotonated form through the NNS donor set of atoms. However, while Fe(III) complex is in the doublet ground state with distorted octahedral geometry, the coordination environment around Mn(II) is distorted trigonal-prismatic, and the sextet state is found to be the ground state. DFT calculations were performed to rationalize spin state preferences, and continuous shape measure describes the deviation from ideal six-coordinated polyhedral geometries in the ground and excited states. Antimicrobial activity (against a panel of Gram-negative and Gram-positive bacteria, two yeast, and one fungal strain), brine shrimp assay, and DPPH radical scavenging activity of both complexes were evaluated, and these results relate to the electronic structure of the complexes.",
publisher = "Elsevier",
journal = "Polyhedron",
title = "The interplay between spin states, geometries and biological activity of Fe(III) and Mn(II) complexes with thiosemicarbazone",
volume = "237",
pages = "116389",
doi = "10.1016/j.poly.2023.116389"
}
Stojičkov, M., Zlatar, M., Mazzeo, P. P., Bacchi, A., Radanović, D., Stevanović, N., Jevtović, M., Novaković, I., Anđelković, K., Sladić, D., Čobeljić, B.,& Gruden, M.. (2023). The interplay between spin states, geometries and biological activity of Fe(III) and Mn(II) complexes with thiosemicarbazone. in Polyhedron
Elsevier., 237, 116389.
https://doi.org/10.1016/j.poly.2023.116389
Stojičkov M, Zlatar M, Mazzeo PP, Bacchi A, Radanović D, Stevanović N, Jevtović M, Novaković I, Anđelković K, Sladić D, Čobeljić B, Gruden M. The interplay between spin states, geometries and biological activity of Fe(III) and Mn(II) complexes with thiosemicarbazone. in Polyhedron. 2023;237:116389.
doi:10.1016/j.poly.2023.116389 .
Stojičkov, Marko, Zlatar, Matija, Mazzeo, Paolo Pio, Bacchi, Alessia, Radanović, Dušanka, Stevanović, Nevena, Jevtović, Mima, Novaković, Irena, Anđelković, Katarina, Sladić, Dušan, Čobeljić, Božidar, Gruden, Maja, "The interplay between spin states, geometries and biological activity of Fe(III) and Mn(II) complexes with thiosemicarbazone" in Polyhedron, 237 (2023):116389,
https://doi.org/10.1016/j.poly.2023.116389 . .
1
1
1

The interplay between spin states, geometries and biological activity of Fe(III) and Mn(II) complexes with thiosemicarbazone

Stojičkov, Marko; Zlatar, Matija; Mazzeo, Paolo Pio; Bacchi, Alessia; Radanović, Dušanka; Stevanović, Nevena; Jevtović, Mima; Novaković, Irena; Anđelković, Katarina; Sladić, Dušan; Čobeljić, Božidar; Gruden, Maja

(Elsevier, 2023)

TY  - JOUR
AU  - Stojičkov, Marko
AU  - Zlatar, Matija
AU  - Mazzeo, Paolo Pio
AU  - Bacchi, Alessia
AU  - Radanović, Dušanka
AU  - Stevanović, Nevena
AU  - Jevtović, Mima
AU  - Novaković, Irena
AU  - Anđelković, Katarina
AU  - Sladić, Dušan
AU  - Čobeljić, Božidar
AU  - Gruden, Maja
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/6042
AB  - Fe(III) and Mn(II) complexes with condensation product of thiosemicarbazide and 2-acetylthiazole (HL1, (E)-2-(1-(thiazol-2-yl)ethylidene)hydrazine-1-carbothioamide) have been synthesized and characterized by single-crystal X-ray diffraction, IR spectroscopy, and elemental analysis. In both complexes, the thiosemicarbazone ligand is coordinated in deprotonated form through the NNS donor set of atoms. However, while Fe(III) complex is in the doublet ground state with distorted octahedral geometry, the coordination environment around Mn(II) is distorted trigonal-prismatic, and the sextet state is found to be the ground state. DFT calculations were performed to rationalize spin state preferences, and continuous shape measure describes the deviation from ideal six-coordinated polyhedral geometries in the ground and excited states. Antimicrobial activity (against a panel of Gram-negative and Gram-positive bacteria, two yeast, and one fungal strain), brine shrimp assay, and DPPH radical scavenging activity of both complexes were evaluated, and these results relate to the electronic structure of the complexes.
PB  - Elsevier
T2  - Polyhedron
T1  - The interplay between spin states, geometries and biological activity of Fe(III) and Mn(II) complexes with thiosemicarbazone
VL  - 237
SP  - 116389
DO  - 10.1016/j.poly.2023.116389
ER  - 
@article{
author = "Stojičkov, Marko and Zlatar, Matija and Mazzeo, Paolo Pio and Bacchi, Alessia and Radanović, Dušanka and Stevanović, Nevena and Jevtović, Mima and Novaković, Irena and Anđelković, Katarina and Sladić, Dušan and Čobeljić, Božidar and Gruden, Maja",
year = "2023",
abstract = "Fe(III) and Mn(II) complexes with condensation product of thiosemicarbazide and 2-acetylthiazole (HL1, (E)-2-(1-(thiazol-2-yl)ethylidene)hydrazine-1-carbothioamide) have been synthesized and characterized by single-crystal X-ray diffraction, IR spectroscopy, and elemental analysis. In both complexes, the thiosemicarbazone ligand is coordinated in deprotonated form through the NNS donor set of atoms. However, while Fe(III) complex is in the doublet ground state with distorted octahedral geometry, the coordination environment around Mn(II) is distorted trigonal-prismatic, and the sextet state is found to be the ground state. DFT calculations were performed to rationalize spin state preferences, and continuous shape measure describes the deviation from ideal six-coordinated polyhedral geometries in the ground and excited states. Antimicrobial activity (against a panel of Gram-negative and Gram-positive bacteria, two yeast, and one fungal strain), brine shrimp assay, and DPPH radical scavenging activity of both complexes were evaluated, and these results relate to the electronic structure of the complexes.",
publisher = "Elsevier",
journal = "Polyhedron",
title = "The interplay between spin states, geometries and biological activity of Fe(III) and Mn(II) complexes with thiosemicarbazone",
volume = "237",
pages = "116389",
doi = "10.1016/j.poly.2023.116389"
}
Stojičkov, M., Zlatar, M., Mazzeo, P. P., Bacchi, A., Radanović, D., Stevanović, N., Jevtović, M., Novaković, I., Anđelković, K., Sladić, D., Čobeljić, B.,& Gruden, M.. (2023). The interplay between spin states, geometries and biological activity of Fe(III) and Mn(II) complexes with thiosemicarbazone. in Polyhedron
Elsevier., 237, 116389.
https://doi.org/10.1016/j.poly.2023.116389
Stojičkov M, Zlatar M, Mazzeo PP, Bacchi A, Radanović D, Stevanović N, Jevtović M, Novaković I, Anđelković K, Sladić D, Čobeljić B, Gruden M. The interplay between spin states, geometries and biological activity of Fe(III) and Mn(II) complexes with thiosemicarbazone. in Polyhedron. 2023;237:116389.
doi:10.1016/j.poly.2023.116389 .
Stojičkov, Marko, Zlatar, Matija, Mazzeo, Paolo Pio, Bacchi, Alessia, Radanović, Dušanka, Stevanović, Nevena, Jevtović, Mima, Novaković, Irena, Anđelković, Katarina, Sladić, Dušan, Čobeljić, Božidar, Gruden, Maja, "The interplay between spin states, geometries and biological activity of Fe(III) and Mn(II) complexes with thiosemicarbazone" in Polyhedron, 237 (2023):116389,
https://doi.org/10.1016/j.poly.2023.116389 . .
1
1
1

Electronic Supplementary Information (ESI) for: "The interplay between spin states, geometries and biological activity of Fe(III) and Mn(II) complexes with thiosemicarbazone"

Stojičkov, Marko; Zlatar, Matija; Mazzeo, Paolo Pio; Bacchi, Alessia; Radanović, Dušanka; Stevanović, Nevena; Jevtović, Mima; Novaković, Irena; Anđelković, Katarina; Sladić, Dušan; Čobeljić, Božidar; Gruden, Maja

(Elsevier, 2023)

TY  - DATA
AU  - Stojičkov, Marko
AU  - Zlatar, Matija
AU  - Mazzeo, Paolo Pio
AU  - Bacchi, Alessia
AU  - Radanović, Dušanka
AU  - Stevanović, Nevena
AU  - Jevtović, Mima
AU  - Novaković, Irena
AU  - Anđelković, Katarina
AU  - Sladić, Dušan
AU  - Čobeljić, Božidar
AU  - Gruden, Maja
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/6043
AB  - Fe(III) and Mn(II) complexes with condensation product of thiosemicarbazide and 2-acetylthiazole (HL1, (E)-2-(1-(thiazol-2-yl)ethylidene)hydrazine-1-carbothioamide) have been synthesized and characterized by single-crystal X-ray diffraction, IR spectroscopy, and elemental analysis. In both complexes, the thiosemicarbazone ligand is coordinated in deprotonated form through the NNS donor set of atoms. However, while Fe(III) complex is in the doublet ground state with distorted octahedral geometry, the coordination environment around Mn(II) is distorted trigonal-prismatic, and the sextet state is found to be the ground state. DFT calculations were performed to rationalize spin state preferences, and continuous shape measure describes the deviation from ideal six-coordinated polyhedral geometries in the ground and excited states. Antimicrobial activity (against a panel of Gram-negative and Gram-positive bacteria, two yeast, and one fungal strain), brine shrimp assay, and DPPH radical scavenging activity of both complexes were evaluated, and these results relate to the electronic structure of the complexes.
AB  - Additional crystallographic  and computational results, and the Cartesian coordinates of all DFT  optimized structures
PB  - Elsevier
T2  - Polyhedron
T1  - Electronic Supplementary Information (ESI) for: "The interplay between spin states, geometries and biological activity of Fe(III) and Mn(II) complexes with thiosemicarbazone"
UR  - https://hdl.handle.net/21.15107/rcub_cer_6043
ER  - 
@misc{
author = "Stojičkov, Marko and Zlatar, Matija and Mazzeo, Paolo Pio and Bacchi, Alessia and Radanović, Dušanka and Stevanović, Nevena and Jevtović, Mima and Novaković, Irena and Anđelković, Katarina and Sladić, Dušan and Čobeljić, Božidar and Gruden, Maja",
year = "2023",
abstract = "Fe(III) and Mn(II) complexes with condensation product of thiosemicarbazide and 2-acetylthiazole (HL1, (E)-2-(1-(thiazol-2-yl)ethylidene)hydrazine-1-carbothioamide) have been synthesized and characterized by single-crystal X-ray diffraction, IR spectroscopy, and elemental analysis. In both complexes, the thiosemicarbazone ligand is coordinated in deprotonated form through the NNS donor set of atoms. However, while Fe(III) complex is in the doublet ground state with distorted octahedral geometry, the coordination environment around Mn(II) is distorted trigonal-prismatic, and the sextet state is found to be the ground state. DFT calculations were performed to rationalize spin state preferences, and continuous shape measure describes the deviation from ideal six-coordinated polyhedral geometries in the ground and excited states. Antimicrobial activity (against a panel of Gram-negative and Gram-positive bacteria, two yeast, and one fungal strain), brine shrimp assay, and DPPH radical scavenging activity of both complexes were evaluated, and these results relate to the electronic structure of the complexes., Additional crystallographic  and computational results, and the Cartesian coordinates of all DFT  optimized structures",
publisher = "Elsevier",
journal = "Polyhedron",
title = "Electronic Supplementary Information (ESI) for: "The interplay between spin states, geometries and biological activity of Fe(III) and Mn(II) complexes with thiosemicarbazone"",
url = "https://hdl.handle.net/21.15107/rcub_cer_6043"
}
Stojičkov, M., Zlatar, M., Mazzeo, P. P., Bacchi, A., Radanović, D., Stevanović, N., Jevtović, M., Novaković, I., Anđelković, K., Sladić, D., Čobeljić, B.,& Gruden, M.. (2023). Electronic Supplementary Information (ESI) for: "The interplay between spin states, geometries and biological activity of Fe(III) and Mn(II) complexes with thiosemicarbazone". in Polyhedron
Elsevier..
https://hdl.handle.net/21.15107/rcub_cer_6043
Stojičkov M, Zlatar M, Mazzeo PP, Bacchi A, Radanović D, Stevanović N, Jevtović M, Novaković I, Anđelković K, Sladić D, Čobeljić B, Gruden M. Electronic Supplementary Information (ESI) for: "The interplay between spin states, geometries and biological activity of Fe(III) and Mn(II) complexes with thiosemicarbazone". in Polyhedron. 2023;.
https://hdl.handle.net/21.15107/rcub_cer_6043 .
Stojičkov, Marko, Zlatar, Matija, Mazzeo, Paolo Pio, Bacchi, Alessia, Radanović, Dušanka, Stevanović, Nevena, Jevtović, Mima, Novaković, Irena, Anđelković, Katarina, Sladić, Dušan, Čobeljić, Božidar, Gruden, Maja, "Electronic Supplementary Information (ESI) for: "The interplay between spin states, geometries and biological activity of Fe(III) and Mn(II) complexes with thiosemicarbazone"" in Polyhedron (2023),
https://hdl.handle.net/21.15107/rcub_cer_6043 .

Synthesis and characterization of azido Zn(II) complex with the condensation product of 2-acetylthiazole and thiosemicarbazide

Čobeljić, Božidar; Pevec, Andrej; Zlatar, Matija; Savić, Milica; Jevtović, Mima

(Belgrade, Serbia : Serbian Cristallographic Soceity // Beograd, Srbija : Srpsko kristalografsko društvo, 2023)

TY  - CONF
AU  - Čobeljić, Božidar
AU  - Pevec, Andrej
AU  - Zlatar, Matija
AU  - Savić, Milica
AU  - Jevtović, Mima
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/6305
AB  - The ligand (E)-2-(1-(thiazol-2-yl)ethylidene)hydrazine-1-carbothioamide (HL) was obtained from the condensation of 2-acetylthiazole and thiosemicarbazide.  Upon reacting HL with Zn(BF4)2.6H20 and NaN3 in a solvent mixture of water/methanol, mononuclear Zn(II) complex 1 with the composition [ZnL(N3)2] was obtained.  Complex 1 crystallises in the monoclinic crystal system with space group No.14 (P21/c cell setting).  The unit cell of 1 contains four [ZnL(N3)2] asymmetric units. The Zn(II) site shows a distorted pentacoordinated geometry,  almost midway between the square pyramid and trigonal bipyramid.
AB  - Кондензационом реакцијом 2-адетилтиазола и тиосемикарбазида добијен је лиганд (Е)-2(1-(тиазол-2-ил)етилендиен)хидразин-1-карботиоамид (HL).  Комплекс 1 опште формуле [ZnL(N3)2] добијен је у реакцији лиrанда са Zn(BF4)2.6H20 и NaN3, у смеши меrанол/вода.  Из података рендreнтске сlруктурне анализе утврђено је да комплекс кристалише у моноклиничном кристапном систему просторне трупе Р21lс.  Јединична ћелија комплекса 1 састоји се од четири асиметричне [ZnL(N3)] јединице. Геометрија око пентакоординованог Zп(II) је искривљена,  између квадратнo-пирамидaлне и тригонanно-бипирамидaлне геометрије.
PB  - Belgrade, Serbia : Serbian Cristallographic Soceity // Beograd, Srbija : Srpsko kristalografsko društvo
C3  - 28th Conference of the Serbian Crystallographic Society - Abstracts, June 14–15th, 2023 Čačak, Serbia / XXVIII Konferencija Srpskog kristalografskog društva - izvodi radova
T1  - Synthesis and characterization of azido Zn(II) complex with the condensation product of 2-acetylthiazole and thiosemicarbazide
T1  - Синтеза и карактеризација азидо комплекса Zn(II) са кондензaционим производом 2-ацетилтиазола и тиосемикарбазида
SP  - 34
EP  - 35
UR  - https://hdl.handle.net/21.15107/rcub_cer_6305
ER  - 
@conference{
author = "Čobeljić, Božidar and Pevec, Andrej and Zlatar, Matija and Savić, Milica and Jevtović, Mima",
year = "2023",
abstract = "The ligand (E)-2-(1-(thiazol-2-yl)ethylidene)hydrazine-1-carbothioamide (HL) was obtained from the condensation of 2-acetylthiazole and thiosemicarbazide.  Upon reacting HL with Zn(BF4)2.6H20 and NaN3 in a solvent mixture of water/methanol, mononuclear Zn(II) complex 1 with the composition [ZnL(N3)2] was obtained.  Complex 1 crystallises in the monoclinic crystal system with space group No.14 (P21/c cell setting).  The unit cell of 1 contains four [ZnL(N3)2] asymmetric units. The Zn(II) site shows a distorted pentacoordinated geometry,  almost midway between the square pyramid and trigonal bipyramid., Кондензационом реакцијом 2-адетилтиазола и тиосемикарбазида добијен је лиганд (Е)-2(1-(тиазол-2-ил)етилендиен)хидразин-1-карботиоамид (HL).  Комплекс 1 опште формуле [ZnL(N3)2] добијен је у реакцији лиrанда са Zn(BF4)2.6H20 и NaN3, у смеши меrанол/вода.  Из података рендreнтске сlруктурне анализе утврђено је да комплекс кристалише у моноклиничном кристапном систему просторне трупе Р21lс.  Јединична ћелија комплекса 1 састоји се од четири асиметричне [ZnL(N3)] јединице. Геометрија око пентакоординованог Zп(II) је искривљена,  између квадратнo-пирамидaлне и тригонanно-бипирамидaлне геометрије.",
publisher = "Belgrade, Serbia : Serbian Cristallographic Soceity // Beograd, Srbija : Srpsko kristalografsko društvo",
journal = "28th Conference of the Serbian Crystallographic Society - Abstracts, June 14–15th, 2023 Čačak, Serbia / XXVIII Konferencija Srpskog kristalografskog društva - izvodi radova",
title = "Synthesis and characterization of azido Zn(II) complex with the condensation product of 2-acetylthiazole and thiosemicarbazide, Синтеза и карактеризација азидо комплекса Zn(II) са кондензaционим производом 2-ацетилтиазола и тиосемикарбазида",
pages = "34-35",
url = "https://hdl.handle.net/21.15107/rcub_cer_6305"
}
Čobeljić, B., Pevec, A., Zlatar, M., Savić, M.,& Jevtović, M.. (2023). Synthesis and characterization of azido Zn(II) complex with the condensation product of 2-acetylthiazole and thiosemicarbazide. in 28th Conference of the Serbian Crystallographic Society - Abstracts, June 14–15th, 2023 Čačak, Serbia / XXVIII Konferencija Srpskog kristalografskog društva - izvodi radova
Belgrade, Serbia : Serbian Cristallographic Soceity // Beograd, Srbija : Srpsko kristalografsko društvo., 34-35.
https://hdl.handle.net/21.15107/rcub_cer_6305
Čobeljić B, Pevec A, Zlatar M, Savić M, Jevtović M. Synthesis and characterization of azido Zn(II) complex with the condensation product of 2-acetylthiazole and thiosemicarbazide. in 28th Conference of the Serbian Crystallographic Society - Abstracts, June 14–15th, 2023 Čačak, Serbia / XXVIII Konferencija Srpskog kristalografskog društva - izvodi radova. 2023;:34-35.
https://hdl.handle.net/21.15107/rcub_cer_6305 .
Čobeljić, Božidar, Pevec, Andrej, Zlatar, Matija, Savić, Milica, Jevtović, Mima, "Synthesis and characterization of azido Zn(II) complex with the condensation product of 2-acetylthiazole and thiosemicarbazide" in 28th Conference of the Serbian Crystallographic Society - Abstracts, June 14–15th, 2023 Čačak, Serbia / XXVIII Konferencija Srpskog kristalografskog društva - izvodi radova (2023):34-35,
https://hdl.handle.net/21.15107/rcub_cer_6305 .

Binuclear azide-bridged hydrazone Cu(II) complex: Synthesis, characterization and evaluation of biological activity

Vitomirov, Teodora; Čobeljić, Božidar; Pevec, Andrej; Radanović, Dušanka; Novaković, Irena; Savić, Milica; Anđelković, Katarina; Šumar-Ristović, Maja

(Serbian Chemical Society, 2023)

TY  - JOUR
AU  - Vitomirov, Teodora
AU  - Čobeljić, Božidar
AU  - Pevec, Andrej
AU  - Radanović, Dušanka
AU  - Novaković, Irena
AU  - Savić, Milica
AU  - Anđelković, Katarina
AU  - Šumar-Ristović, Maja
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/6435
AB  - The condensation product of 7-acetyl-6-azaindole and Girard's T reagent ((E)-2-(2-(1-(1H-pyrrolo[2,3-c]pyridin-7-yl)ethylidene)hydrazineyl)-N,N,N-trimethyl-2-oxoethan-1-aminium, HL ligand) was used as a ligand in the reaction with Cu(BF4)2·6H2O and NaN3. The reaction led to the formation of a binuclear Cu(II) complex containing two end-to-end (di-m-1,3-N3) azide bridges, as well as two NNO-donor hydrazone ligands, forming an axially elongated square pyramidal geometry around each Cu(II) center. This end-to-end (di-m-1,3-N3) azide bridge binding mode has not yet occurred in Cu(II) complexes containing the NNO-donor hydrazone ligands, which makes the structure of the complex even more interesting for further studies. The complex was characterized by elemental analysis, IR spectroscopy and X-ray crystallography, and it was found that it crystallizes in the triclinic space group P–1 with the asymmetric unit comprising one Cu(II) centre, zwitterionic ligand L, one azide (N3−) ligand, and BF4− counter anion. Examination of antimicrobial activity of the complex shows higher antifungal and antibacterial activity towards tested Gram-positive bacteria in comparison to the hydrazone ligand, with the antifungal activity of the complex even being comparable to the activity of amphotericin B.
AB  - Кондензациони производ 7-ацетил-6-азаиндола и Жираровог Т реагенса (лиганд HL) коришћен је  као    лиганд у  реакцији са Cu(BF4)2·6H2O и NaN3.  Реакција је  довела до формирања бинуклеарног Cu(II)комплекса који садржи два азидна моста у „end-to-end“ (di-mu-1,3-N3) моду, као и два NNO-донорска хидразонска лиганда који заједно формирају аксијално издужену квадратно-пирамидалну геометрију око   сваког централног металног јона. Овај „end-to-end“ (di-mu-1,3-N3) азидни мост се до сада није појављивао у структурама бакар(II) комплекса који садрже NNO-донорске хидразонске лиганде, што чини структуру комплекса још   интересантнијом за  будућа испитивања. Овај    комплекс је  окарактерисан елементалном анализом, ИЦ   спектроскопијом и  рендгенском структурном анализом и пронађено је  да   кристалише у  триклиничној просторној групи P–1 са   асиметричном јединицом која се састоји из једног Cu(II)центра, цвитер-јонског лиганда (L), једног азидног лиганда (N3−) и BF4−контра-јона. Испитивање антимикробне активности комплекса показало је вишу антифунгалну активност, као и вишу антибактеријску активност према Грам-позитивним бактеријама, у односу на сам хидразонски лиганд, док је антифунгална активност комплекса чак упоредива са активношћу амфотерицина Б који је коришћен као стандард.
PB  - Serbian Chemical Society
T2  - Journal of the Serbian Chemical Society
T1  - Binuclear azide-bridged hydrazone Cu(II) complex: Synthesis, characterization and evaluation of biological activity
T1  - Динуклеарни хидразонски комплекс Cu(II) са азидним мостом: синтеза, карактеризација и евалуација биолошке активности.
VL  - 88
IS  - 9
SP  - 877
EP  - 888
DO  - 10.2298/JSC230623044V
ER  - 
@article{
author = "Vitomirov, Teodora and Čobeljić, Božidar and Pevec, Andrej and Radanović, Dušanka and Novaković, Irena and Savić, Milica and Anđelković, Katarina and Šumar-Ristović, Maja",
year = "2023",
abstract = "The condensation product of 7-acetyl-6-azaindole and Girard's T reagent ((E)-2-(2-(1-(1H-pyrrolo[2,3-c]pyridin-7-yl)ethylidene)hydrazineyl)-N,N,N-trimethyl-2-oxoethan-1-aminium, HL ligand) was used as a ligand in the reaction with Cu(BF4)2·6H2O and NaN3. The reaction led to the formation of a binuclear Cu(II) complex containing two end-to-end (di-m-1,3-N3) azide bridges, as well as two NNO-donor hydrazone ligands, forming an axially elongated square pyramidal geometry around each Cu(II) center. This end-to-end (di-m-1,3-N3) azide bridge binding mode has not yet occurred in Cu(II) complexes containing the NNO-donor hydrazone ligands, which makes the structure of the complex even more interesting for further studies. The complex was characterized by elemental analysis, IR spectroscopy and X-ray crystallography, and it was found that it crystallizes in the triclinic space group P–1 with the asymmetric unit comprising one Cu(II) centre, zwitterionic ligand L, one azide (N3−) ligand, and BF4− counter anion. Examination of antimicrobial activity of the complex shows higher antifungal and antibacterial activity towards tested Gram-positive bacteria in comparison to the hydrazone ligand, with the antifungal activity of the complex even being comparable to the activity of amphotericin B., Кондензациони производ 7-ацетил-6-азаиндола и Жираровог Т реагенса (лиганд HL) коришћен је  као    лиганд у  реакцији са Cu(BF4)2·6H2O и NaN3.  Реакција је  довела до формирања бинуклеарног Cu(II)комплекса који садржи два азидна моста у „end-to-end“ (di-mu-1,3-N3) моду, као и два NNO-донорска хидразонска лиганда који заједно формирају аксијално издужену квадратно-пирамидалну геометрију око   сваког централног металног јона. Овај „end-to-end“ (di-mu-1,3-N3) азидни мост се до сада није појављивао у структурама бакар(II) комплекса који садрже NNO-донорске хидразонске лиганде, што чини структуру комплекса још   интересантнијом за  будућа испитивања. Овај    комплекс је  окарактерисан елементалном анализом, ИЦ   спектроскопијом и  рендгенском структурном анализом и пронађено је  да   кристалише у  триклиничној просторној групи P–1 са   асиметричном јединицом која се састоји из једног Cu(II)центра, цвитер-јонског лиганда (L), једног азидног лиганда (N3−) и BF4−контра-јона. Испитивање антимикробне активности комплекса показало је вишу антифунгалну активност, као и вишу антибактеријску активност према Грам-позитивним бактеријама, у односу на сам хидразонски лиганд, док је антифунгална активност комплекса чак упоредива са активношћу амфотерицина Б који је коришћен као стандард.",
publisher = "Serbian Chemical Society",
journal = "Journal of the Serbian Chemical Society",
title = "Binuclear azide-bridged hydrazone Cu(II) complex: Synthesis, characterization and evaluation of biological activity, Динуклеарни хидразонски комплекс Cu(II) са азидним мостом: синтеза, карактеризација и евалуација биолошке активности.",
volume = "88",
number = "9",
pages = "877-888",
doi = "10.2298/JSC230623044V"
}
Vitomirov, T., Čobeljić, B., Pevec, A., Radanović, D., Novaković, I., Savić, M., Anđelković, K.,& Šumar-Ristović, M.. (2023). Binuclear azide-bridged hydrazone Cu(II) complex: Synthesis, characterization and evaluation of biological activity. in Journal of the Serbian Chemical Society
Serbian Chemical Society., 88(9), 877-888.
https://doi.org/10.2298/JSC230623044V
Vitomirov T, Čobeljić B, Pevec A, Radanović D, Novaković I, Savić M, Anđelković K, Šumar-Ristović M. Binuclear azide-bridged hydrazone Cu(II) complex: Synthesis, characterization and evaluation of biological activity. in Journal of the Serbian Chemical Society. 2023;88(9):877-888.
doi:10.2298/JSC230623044V .
Vitomirov, Teodora, Čobeljić, Božidar, Pevec, Andrej, Radanović, Dušanka, Novaković, Irena, Savić, Milica, Anđelković, Katarina, Šumar-Ristović, Maja, "Binuclear azide-bridged hydrazone Cu(II) complex: Synthesis, characterization and evaluation of biological activity" in Journal of the Serbian Chemical Society, 88, no. 9 (2023):877-888,
https://doi.org/10.2298/JSC230623044V . .

Correlating Structure and KA2 Catalytic Activity of Zn(II) Hydrazone Complexes

Adejumo, Temiloluwa T.; Danopoulou, Marianna; Zorba, Leandros P.; Pevec, Andrej; Zlatar, Matija; Radanović, Dušanka; Savić, Milica; Gruden, Maja; Anđelković, Katarina; Turel, Iztok; Čobeljić, Božidar; Vougioukalakis, Georgios C.

(Wiley, 2023)

TY  - JOUR
AU  - Adejumo, Temiloluwa T.
AU  - Danopoulou, Marianna
AU  - Zorba, Leandros P.
AU  - Pevec, Andrej
AU  - Zlatar, Matija
AU  - Radanović, Dušanka
AU  - Savić, Milica
AU  - Gruden, Maja
AU  - Anđelković, Katarina
AU  - Turel, Iztok
AU  - Čobeljić, Božidar
AU  - Vougioukalakis, Georgios C.
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/6545
AB  - Two new Zn(II) complexes bearing tridentate hydrazone-based ligands with NNO or NNS donor atoms were synthesised and characterised by elemental analysis, infrared (IR) and nuclear magnetic resonance (NMR) spectroscopies, and single crystal X-ray diffraction methods. These complexes, together with four previously synthesised analogues, having hydrazone ligands with a NNO donor set of atoms, were successfully employed as catalysts in the ketone-amine-alkyne (KA2) coupling reaction, furnishing tetrasubstituted propargylamines, compounds with unique applications in organic chemistry. DFT calculations at the CAM-B3LYP/TZP level of theory were performed to elucidate the electronic structure of the investigated Zn(II) complexes, excellently correlating the structure of the complexes to their catalytic reactivity.
PB  - Wiley
T2  - European Journal of Inorganic Chemistry
T1  - Correlating Structure and KA2 Catalytic Activity of Zn(II) Hydrazone Complexes
VL  - 26
IS  - 33
SP  - e202300193
DO  - 10.1002/ejic.202300193
ER  - 
@article{
author = "Adejumo, Temiloluwa T. and Danopoulou, Marianna and Zorba, Leandros P. and Pevec, Andrej and Zlatar, Matija and Radanović, Dušanka and Savić, Milica and Gruden, Maja and Anđelković, Katarina and Turel, Iztok and Čobeljić, Božidar and Vougioukalakis, Georgios C.",
year = "2023",
abstract = "Two new Zn(II) complexes bearing tridentate hydrazone-based ligands with NNO or NNS donor atoms were synthesised and characterised by elemental analysis, infrared (IR) and nuclear magnetic resonance (NMR) spectroscopies, and single crystal X-ray diffraction methods. These complexes, together with four previously synthesised analogues, having hydrazone ligands with a NNO donor set of atoms, were successfully employed as catalysts in the ketone-amine-alkyne (KA2) coupling reaction, furnishing tetrasubstituted propargylamines, compounds with unique applications in organic chemistry. DFT calculations at the CAM-B3LYP/TZP level of theory were performed to elucidate the electronic structure of the investigated Zn(II) complexes, excellently correlating the structure of the complexes to their catalytic reactivity.",
publisher = "Wiley",
journal = "European Journal of Inorganic Chemistry",
title = "Correlating Structure and KA2 Catalytic Activity of Zn(II) Hydrazone Complexes",
volume = "26",
number = "33",
pages = "e202300193",
doi = "10.1002/ejic.202300193"
}
Adejumo, T. T., Danopoulou, M., Zorba, L. P., Pevec, A., Zlatar, M., Radanović, D., Savić, M., Gruden, M., Anđelković, K., Turel, I., Čobeljić, B.,& Vougioukalakis, G. C.. (2023). Correlating Structure and KA2 Catalytic Activity of Zn(II) Hydrazone Complexes. in European Journal of Inorganic Chemistry
Wiley., 26(33), e202300193.
https://doi.org/10.1002/ejic.202300193
Adejumo TT, Danopoulou M, Zorba LP, Pevec A, Zlatar M, Radanović D, Savić M, Gruden M, Anđelković K, Turel I, Čobeljić B, Vougioukalakis GC. Correlating Structure and KA2 Catalytic Activity of Zn(II) Hydrazone Complexes. in European Journal of Inorganic Chemistry. 2023;26(33):e202300193.
doi:10.1002/ejic.202300193 .
Adejumo, Temiloluwa T., Danopoulou, Marianna, Zorba, Leandros P., Pevec, Andrej, Zlatar, Matija, Radanović, Dušanka, Savić, Milica, Gruden, Maja, Anđelković, Katarina, Turel, Iztok, Čobeljić, Božidar, Vougioukalakis, Georgios C., "Correlating Structure and KA2 Catalytic Activity of Zn(II) Hydrazone Complexes" in European Journal of Inorganic Chemistry, 26, no. 33 (2023):e202300193,
https://doi.org/10.1002/ejic.202300193 . .
3
1
1

Spin states of Mn(II) and Fe(III) complexes with thiosemicarbazone

Savić, Milica; Jevtović, Mima; Čobeljić, Božidar; Gruden, Maja; Zlatar, Matija

(Viena, Austria : Institute of Applied Synthetic Chemistry, TU Wien, 2023)

TY  - CONF
AU  - Savić, Milica
AU  - Jevtović, Mima
AU  - Čobeljić, Božidar
AU  - Gruden, Maja
AU  - Zlatar, Matija
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/6570
AB  - Mn(II) and Fe(III) complexes with condensation product of thiosemicarbazide and 2-acetylthiazole have been synthesized and characterized by single-crystal X-ray diffraction. Two complexes have the same ligand system – bis tridentate coordination of the thiosemicarbazone ligand through the NNS donor set of atoms. Furthermore, the central metal ions in both cases have the same d5
 electronic configuration. However, measured magnetism and analysis of the crystal geometries 
show that these two complexes have a different number of unpaired electrons. We 
rationalized the results by electronic structure calculations based on density functional 
theory. High-spin Mn(II) complex has trigonal-prismatic geometry with ionic metal-ligand bonding. Hund's rule of maximum multiplicity is responsible for its sextet spin-ground state. On the other hand, low-spin Fe(III) complex has octahedral coordination and strong metal-ligand covalency with delocalization of spin density toward ligands. Low-spin, doublet state is favored because of the nephelauxetic effect, i.e., smaller pairing energy in Fe(III) complex. Our results show that the difference in the electronic structure of the two complexes, i.e., different spin-ground states, directly affects these molecules' structure, magnetism, reactivity, and biological activities.
PB  - Viena, Austria : Institute of Applied Synthetic Chemistry, TU Wien
PB  - ChemIT e.U.
C3  - 6th EuChemS Inorganic  Chemistry Conference, September 3 – 7, 2023, Institute of Applied Synthetic Chemistry, TU Wien, Austria
T1  - Spin states of Mn(II) and Fe(III) complexes with thiosemicarbazone
SP  - PO-133
EP  - PO-133
UR  - https://hdl.handle.net/21.15107/rcub_cer_6570
ER  - 
@conference{
author = "Savić, Milica and Jevtović, Mima and Čobeljić, Božidar and Gruden, Maja and Zlatar, Matija",
year = "2023",
abstract = "Mn(II) and Fe(III) complexes with condensation product of thiosemicarbazide and 2-acetylthiazole have been synthesized and characterized by single-crystal X-ray diffraction. Two complexes have the same ligand system – bis tridentate coordination of the thiosemicarbazone ligand through the NNS donor set of atoms. Furthermore, the central metal ions in both cases have the same d5
 electronic configuration. However, measured magnetism and analysis of the crystal geometries 
show that these two complexes have a different number of unpaired electrons. We 
rationalized the results by electronic structure calculations based on density functional 
theory. High-spin Mn(II) complex has trigonal-prismatic geometry with ionic metal-ligand bonding. Hund's rule of maximum multiplicity is responsible for its sextet spin-ground state. On the other hand, low-spin Fe(III) complex has octahedral coordination and strong metal-ligand covalency with delocalization of spin density toward ligands. Low-spin, doublet state is favored because of the nephelauxetic effect, i.e., smaller pairing energy in Fe(III) complex. Our results show that the difference in the electronic structure of the two complexes, i.e., different spin-ground states, directly affects these molecules' structure, magnetism, reactivity, and biological activities.",
publisher = "Viena, Austria : Institute of Applied Synthetic Chemistry, TU Wien, ChemIT e.U.",
journal = "6th EuChemS Inorganic  Chemistry Conference, September 3 – 7, 2023, Institute of Applied Synthetic Chemistry, TU Wien, Austria",
title = "Spin states of Mn(II) and Fe(III) complexes with thiosemicarbazone",
pages = "PO-133-PO-133",
url = "https://hdl.handle.net/21.15107/rcub_cer_6570"
}
Savić, M., Jevtović, M., Čobeljić, B., Gruden, M.,& Zlatar, M.. (2023). Spin states of Mn(II) and Fe(III) complexes with thiosemicarbazone. in 6th EuChemS Inorganic  Chemistry Conference, September 3 – 7, 2023, Institute of Applied Synthetic Chemistry, TU Wien, Austria
Viena, Austria : Institute of Applied Synthetic Chemistry, TU Wien., PO-133-PO-133.
https://hdl.handle.net/21.15107/rcub_cer_6570
Savić M, Jevtović M, Čobeljić B, Gruden M, Zlatar M. Spin states of Mn(II) and Fe(III) complexes with thiosemicarbazone. in 6th EuChemS Inorganic  Chemistry Conference, September 3 – 7, 2023, Institute of Applied Synthetic Chemistry, TU Wien, Austria. 2023;:PO-133-PO-133.
https://hdl.handle.net/21.15107/rcub_cer_6570 .
Savić, Milica, Jevtović, Mima, Čobeljić, Božidar, Gruden, Maja, Zlatar, Matija, "Spin states of Mn(II) and Fe(III) complexes with thiosemicarbazone" in 6th EuChemS Inorganic  Chemistry Conference, September 3 – 7, 2023, Institute of Applied Synthetic Chemistry, TU Wien, Austria (2023):PO-133-PO-133,
https://hdl.handle.net/21.15107/rcub_cer_6570 .

Poster presentation: "Spin states of Mn(II) and Fe(III) complexes with thiosemicarbazone"

Savić, Milica; Jevtović, Mima; Čobeljić, Božidar; Gruden, Maja; Zlatar, Matija

(TMMagCat Project, 2023)

TY  - CONF
AU  - Savić, Milica
AU  - Jevtović, Mima
AU  - Čobeljić, Božidar
AU  - Gruden, Maja
AU  - Zlatar, Matija
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/6572
AB  - Mn(II) and Fe(III) complexes with condensation product of thiosemicarbazide and 2-acetylthiazole have been synthesized and characterized by single-crystal X-ray diffraction. Two complexes have the same ligand system – bis tridentate coordination of the thiosemicarbazone ligand through the NNS donor set of atoms. Furthermore, the central metal ions in both cases have the same d5 electronic configuration. However, measured magnetism and analysis of the crystal geometries show that these two complexes have a different number of unpaired electrons. We rationalized the results by electronic structure calculations based on density functional theory. High-spin Mn(II) complex has trigonal-prismatic geometry with ionic metal-ligand bonding. Hund's rule of maximum multiplicity is responsible for its sextet spin-ground state. On the other hand, low-spin Fe(III) complex has octahedral coordination and strong metal-ligand covalency with delocalization of spin density toward ligands. Low-spin, doublet state is favored because of the nephelauxetic effect, i.e., smaller pairing energy in Fe(III) complex. Our results show that the difference in the electronic structure of the two complexes, i.e., different spin-ground states, directly affects these molecules' structure, magnetism, reactivity, and biological activities.
PB  - TMMagCat Project
T1  - Poster presentation: "Spin states of Mn(II) and Fe(III) complexes with thiosemicarbazone"
UR  - https://hdl.handle.net/21.15107/rcub_cer_6572
ER  - 
@conference{
author = "Savić, Milica and Jevtović, Mima and Čobeljić, Božidar and Gruden, Maja and Zlatar, Matija",
year = "2023",
abstract = "Mn(II) and Fe(III) complexes with condensation product of thiosemicarbazide and 2-acetylthiazole have been synthesized and characterized by single-crystal X-ray diffraction. Two complexes have the same ligand system – bis tridentate coordination of the thiosemicarbazone ligand through the NNS donor set of atoms. Furthermore, the central metal ions in both cases have the same d5 electronic configuration. However, measured magnetism and analysis of the crystal geometries show that these two complexes have a different number of unpaired electrons. We rationalized the results by electronic structure calculations based on density functional theory. High-spin Mn(II) complex has trigonal-prismatic geometry with ionic metal-ligand bonding. Hund's rule of maximum multiplicity is responsible for its sextet spin-ground state. On the other hand, low-spin Fe(III) complex has octahedral coordination and strong metal-ligand covalency with delocalization of spin density toward ligands. Low-spin, doublet state is favored because of the nephelauxetic effect, i.e., smaller pairing energy in Fe(III) complex. Our results show that the difference in the electronic structure of the two complexes, i.e., different spin-ground states, directly affects these molecules' structure, magnetism, reactivity, and biological activities.",
publisher = "TMMagCat Project",
title = "Poster presentation: "Spin states of Mn(II) and Fe(III) complexes with thiosemicarbazone"",
url = "https://hdl.handle.net/21.15107/rcub_cer_6572"
}
Savić, M., Jevtović, M., Čobeljić, B., Gruden, M.,& Zlatar, M.. (2023). Poster presentation: "Spin states of Mn(II) and Fe(III) complexes with thiosemicarbazone". 
TMMagCat Project..
https://hdl.handle.net/21.15107/rcub_cer_6572
Savić M, Jevtović M, Čobeljić B, Gruden M, Zlatar M. Poster presentation: "Spin states of Mn(II) and Fe(III) complexes with thiosemicarbazone". 2023;.
https://hdl.handle.net/21.15107/rcub_cer_6572 .
Savić, Milica, Jevtović, Mima, Čobeljić, Božidar, Gruden, Maja, Zlatar, Matija, "Poster presentation: "Spin states of Mn(II) and Fe(III) complexes with thiosemicarbazone"" (2023),
https://hdl.handle.net/21.15107/rcub_cer_6572 .

Synthesis and characterization of Ni(III) complex with condensation product of 2-acetylpyridine and Girard’s P reagent

Savić, Milica; Jevtović, Mima; Zlatar, Matija; Gruden, Maja; Mitić, Dragana; Čobeljić, Božidar; Anđelković, Katarina

(Belgrade, Serbia : Materials Research Society of Serbia, 2023)

TY  - CONF
AU  - Savić, Milica
AU  - Jevtović, Mima
AU  - Zlatar, Matija
AU  - Gruden, Maja
AU  - Mitić, Dragana
AU  - Čobeljić, Božidar
AU  - Anđelković, Katarina
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/6608
AB  - The ligand (HLCl) was synthetized by the reaction of 2-acetylpyridine and Girard’s P reagent in molar ratio 1 : 1 in ethanol (1–2 drops of cc. HCl were added). The reaction of hydrazone ligand 
with the metal salt Ni(BF4)2·6H2O and NaN3 in a molar ratio 1:1:4 in methanol/acetonitrile/water 
mixture results in the formation of Ni(III) complex with composition [NiL(N3)3]. The 
tridentate ligand (HLCl) is coordinated in deprotonated, formally neutral, form to the nickel ion 
through NNO set of donor atoms forming two five-membered chelate rings and the other three 
coordination sites are occupied by meridionally coordinated azide anions. The ligand (HLCl) was 
characterized by elemental analysis, IR and NMR spectroscopy and structure of the complex was 
defined by X-ray analysis, IR and EPR spectroscopy, molar conductivity and elemental analysis. 
DFT calculations were performed to determine stability and rationalise formation of Ni(III) complex.
PB  - Belgrade, Serbia : Materials Research Society of Serbia
C3  - Twenty-fourth Annual Conference ‘’YUCOMAT 2023’’, Program  and  Book of Abstracts, September 4–8, 2023, Herceg Novi, Montenegro
T1  - Synthesis and characterization of Ni(III) complex with condensation product of 2-acetylpyridine and Girard’s P reagent
SP  - 114
EP  - 114
UR  - https://hdl.handle.net/21.15107/rcub_cer_6608
ER  - 
@conference{
author = "Savić, Milica and Jevtović, Mima and Zlatar, Matija and Gruden, Maja and Mitić, Dragana and Čobeljić, Božidar and Anđelković, Katarina",
year = "2023",
abstract = "The ligand (HLCl) was synthetized by the reaction of 2-acetylpyridine and Girard’s P reagent in molar ratio 1 : 1 in ethanol (1–2 drops of cc. HCl were added). The reaction of hydrazone ligand 
with the metal salt Ni(BF4)2·6H2O and NaN3 in a molar ratio 1:1:4 in methanol/acetonitrile/water 
mixture results in the formation of Ni(III) complex with composition [NiL(N3)3]. The 
tridentate ligand (HLCl) is coordinated in deprotonated, formally neutral, form to the nickel ion 
through NNO set of donor atoms forming two five-membered chelate rings and the other three 
coordination sites are occupied by meridionally coordinated azide anions. The ligand (HLCl) was 
characterized by elemental analysis, IR and NMR spectroscopy and structure of the complex was 
defined by X-ray analysis, IR and EPR spectroscopy, molar conductivity and elemental analysis. 
DFT calculations were performed to determine stability and rationalise formation of Ni(III) complex.",
publisher = "Belgrade, Serbia : Materials Research Society of Serbia",
journal = "Twenty-fourth Annual Conference ‘’YUCOMAT 2023’’, Program  and  Book of Abstracts, September 4–8, 2023, Herceg Novi, Montenegro",
title = "Synthesis and characterization of Ni(III) complex with condensation product of 2-acetylpyridine and Girard’s P reagent",
pages = "114-114",
url = "https://hdl.handle.net/21.15107/rcub_cer_6608"
}
Savić, M., Jevtović, M., Zlatar, M., Gruden, M., Mitić, D., Čobeljić, B.,& Anđelković, K.. (2023). Synthesis and characterization of Ni(III) complex with condensation product of 2-acetylpyridine and Girard’s P reagent. in Twenty-fourth Annual Conference ‘’YUCOMAT 2023’’, Program  and  Book of Abstracts, September 4–8, 2023, Herceg Novi, Montenegro
Belgrade, Serbia : Materials Research Society of Serbia., 114-114.
https://hdl.handle.net/21.15107/rcub_cer_6608
Savić M, Jevtović M, Zlatar M, Gruden M, Mitić D, Čobeljić B, Anđelković K. Synthesis and characterization of Ni(III) complex with condensation product of 2-acetylpyridine and Girard’s P reagent. in Twenty-fourth Annual Conference ‘’YUCOMAT 2023’’, Program  and  Book of Abstracts, September 4–8, 2023, Herceg Novi, Montenegro. 2023;:114-114.
https://hdl.handle.net/21.15107/rcub_cer_6608 .
Savić, Milica, Jevtović, Mima, Zlatar, Matija, Gruden, Maja, Mitić, Dragana, Čobeljić, Božidar, Anđelković, Katarina, "Synthesis and characterization of Ni(III) complex with condensation product of 2-acetylpyridine and Girard’s P reagent" in Twenty-fourth Annual Conference ‘’YUCOMAT 2023’’, Program  and  Book of Abstracts, September 4–8, 2023, Herceg Novi, Montenegro (2023):114-114,
https://hdl.handle.net/21.15107/rcub_cer_6608 .

Poster presentation: "Synthesis and characterization of Ni(III) complex with condensation product of 2-acetylpyridine and Girard’s P reagent"

Savić, Milica; Jevtović, Mima; Zlatar, Matija; Gruden, Maja; Mitić, Dragana; Čobeljić, Božidar; Anđelković, Katarina

(Belgrade, Serbia : Materials Research Society of Serbia, 2023)

TY  - CONF
AU  - Savić, Milica
AU  - Jevtović, Mima
AU  - Zlatar, Matija
AU  - Gruden, Maja
AU  - Mitić, Dragana
AU  - Čobeljić, Božidar
AU  - Anđelković, Katarina
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/6609
AB  - The ligand (HLCl) was synthetized by the reaction of 2-acetylpyridine and Girard’s P reagent in molar ratio 1 : 1 in ethanol (1–2 drops of cc. HCl were added). The reaction of hydrazone ligand with the metal salt Ni(BF4)2·6H2O and NaN3 in a molar ratio 1:1:4 in methanol/acetonitrile/water mixture results in the formation of Ni(III) complex with composition [NiL(N3)3]. The tridentate ligand (HLCl) is coordinated in deprotonated, formally neutral, form to the nickel ion through NNO set of donor atoms forming two five-membered chelate rings and the other three coordination sites are occupied by meridionally coordinated azide anions. The ligand (HLCl) was characterized by elemental analysis, IR and NMR spectroscopy and structure of the complex was defined by X-ray analysis, IR and EPR spectroscopy, molar conductivity and elemental analysis. DFT calculations were performed to determine stability and rationalise formation of Ni(III) complex.
PB  - Belgrade, Serbia : Materials Research Society of Serbia
T1  - Poster presentation: "Synthesis and characterization of Ni(III) complex with condensation product of 2-acetylpyridine and Girard’s P reagent"
UR  - https://hdl.handle.net/21.15107/rcub_cer_6609
ER  - 
@conference{
author = "Savić, Milica and Jevtović, Mima and Zlatar, Matija and Gruden, Maja and Mitić, Dragana and Čobeljić, Božidar and Anđelković, Katarina",
year = "2023",
abstract = "The ligand (HLCl) was synthetized by the reaction of 2-acetylpyridine and Girard’s P reagent in molar ratio 1 : 1 in ethanol (1–2 drops of cc. HCl were added). The reaction of hydrazone ligand with the metal salt Ni(BF4)2·6H2O and NaN3 in a molar ratio 1:1:4 in methanol/acetonitrile/water mixture results in the formation of Ni(III) complex with composition [NiL(N3)3]. The tridentate ligand (HLCl) is coordinated in deprotonated, formally neutral, form to the nickel ion through NNO set of donor atoms forming two five-membered chelate rings and the other three coordination sites are occupied by meridionally coordinated azide anions. The ligand (HLCl) was characterized by elemental analysis, IR and NMR spectroscopy and structure of the complex was defined by X-ray analysis, IR and EPR spectroscopy, molar conductivity and elemental analysis. DFT calculations were performed to determine stability and rationalise formation of Ni(III) complex.",
publisher = "Belgrade, Serbia : Materials Research Society of Serbia",
title = "Poster presentation: "Synthesis and characterization of Ni(III) complex with condensation product of 2-acetylpyridine and Girard’s P reagent"",
url = "https://hdl.handle.net/21.15107/rcub_cer_6609"
}
Savić, M., Jevtović, M., Zlatar, M., Gruden, M., Mitić, D., Čobeljić, B.,& Anđelković, K.. (2023). Poster presentation: "Synthesis and characterization of Ni(III) complex with condensation product of 2-acetylpyridine and Girard’s P reagent". 
Belgrade, Serbia : Materials Research Society of Serbia..
https://hdl.handle.net/21.15107/rcub_cer_6609
Savić M, Jevtović M, Zlatar M, Gruden M, Mitić D, Čobeljić B, Anđelković K. Poster presentation: "Synthesis and characterization of Ni(III) complex with condensation product of 2-acetylpyridine and Girard’s P reagent". 2023;.
https://hdl.handle.net/21.15107/rcub_cer_6609 .
Savić, Milica, Jevtović, Mima, Zlatar, Matija, Gruden, Maja, Mitić, Dragana, Čobeljić, Božidar, Anđelković, Katarina, "Poster presentation: "Synthesis and characterization of Ni(III) complex with condensation product of 2-acetylpyridine and Girard’s P reagent"" (2023),
https://hdl.handle.net/21.15107/rcub_cer_6609 .

Nickel(II) and nickel(III) Thiosemicarbazone and Hydrazone Complexes: An Unexpected Journey

Jevtović, Mima; Pevec, Andrej; Turel, Iztok; Radanović, Dušanka; Milčić, Miloš; Gruden, Maja; Zlatar, Matija; Mitić, Dragana; Anđelković, Katarina; Čobeljić, Božidar

(Elsevier, 2023)

TY  - JOUR
AU  - Jevtović, Mima
AU  - Pevec, Andrej
AU  - Turel, Iztok
AU  - Radanović, Dušanka
AU  - Milčić, Miloš
AU  - Gruden, Maja
AU  - Zlatar, Matija
AU  - Mitić, Dragana
AU  - Anđelković, Katarina
AU  - Čobeljić, Božidar
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/6766
AB  - In this paper, we report the  synthesis, characterization, and X-ray structure analysis of one octahedral Ni(II) complex,  [Ni(HL1 )2](BF4)2*H2O, formed by coordination of two ligands with NNS donor atom sets (HL1 ligand, (E)-2-(1-(thiazol-2-yl)ethylidene)hydrazine-1-carbothioamide), and Ni(III) complex,  [Ni(L2 )(N3)3], formed by coordination of one hydrazone ligand coordinated through NNO donor  set and three azide anions (HL2Cl ligand, (E)−1-(2-oxo-2-(2-(1-(pyridin-2- yl)ethylidene)hydrazinyl)ethyl)pyridin-1-ium chloride), complemented by DFT calculations. To the best of our knowledge this is the first Ni(III) complex obtained under ambient  conditions.
PB  - Elsevier
T2  - Inorganic Chemistry Communications
T1  - Nickel(II) and nickel(III) Thiosemicarbazone and Hydrazone Complexes: An Unexpected Journey
VL  - 158
SP  - 111582
DO  - 10.1016/j.inoche.2023.111582
ER  - 
@article{
author = "Jevtović, Mima and Pevec, Andrej and Turel, Iztok and Radanović, Dušanka and Milčić, Miloš and Gruden, Maja and Zlatar, Matija and Mitić, Dragana and Anđelković, Katarina and Čobeljić, Božidar",
year = "2023",
abstract = "In this paper, we report the  synthesis, characterization, and X-ray structure analysis of one octahedral Ni(II) complex,  [Ni(HL1 )2](BF4)2*H2O, formed by coordination of two ligands with NNS donor atom sets (HL1 ligand, (E)-2-(1-(thiazol-2-yl)ethylidene)hydrazine-1-carbothioamide), and Ni(III) complex,  [Ni(L2 )(N3)3], formed by coordination of one hydrazone ligand coordinated through NNO donor  set and three azide anions (HL2Cl ligand, (E)−1-(2-oxo-2-(2-(1-(pyridin-2- yl)ethylidene)hydrazinyl)ethyl)pyridin-1-ium chloride), complemented by DFT calculations. To the best of our knowledge this is the first Ni(III) complex obtained under ambient  conditions.",
publisher = "Elsevier",
journal = "Inorganic Chemistry Communications",
title = "Nickel(II) and nickel(III) Thiosemicarbazone and Hydrazone Complexes: An Unexpected Journey",
volume = "158",
pages = "111582",
doi = "10.1016/j.inoche.2023.111582"
}
Jevtović, M., Pevec, A., Turel, I., Radanović, D., Milčić, M., Gruden, M., Zlatar, M., Mitić, D., Anđelković, K.,& Čobeljić, B.. (2023). Nickel(II) and nickel(III) Thiosemicarbazone and Hydrazone Complexes: An Unexpected Journey. in Inorganic Chemistry Communications
Elsevier., 158, 111582.
https://doi.org/10.1016/j.inoche.2023.111582
Jevtović M, Pevec A, Turel I, Radanović D, Milčić M, Gruden M, Zlatar M, Mitić D, Anđelković K, Čobeljić B. Nickel(II) and nickel(III) Thiosemicarbazone and Hydrazone Complexes: An Unexpected Journey. in Inorganic Chemistry Communications. 2023;158:111582.
doi:10.1016/j.inoche.2023.111582 .
Jevtović, Mima, Pevec, Andrej, Turel, Iztok, Radanović, Dušanka, Milčić, Miloš, Gruden, Maja, Zlatar, Matija, Mitić, Dragana, Anđelković, Katarina, Čobeljić, Božidar, "Nickel(II) and nickel(III) Thiosemicarbazone and Hydrazone Complexes: An Unexpected Journey" in Inorganic Chemistry Communications, 158 (2023):111582,
https://doi.org/10.1016/j.inoche.2023.111582 . .

Nickel(II) and nickel(III) Thiosemicarbazone and Hydrazone Complexes: An Unexpected Journey

Jevtović, Mima; Pevec, Andrej; Turel, Iztok; Radanović, Dušanka; Milčić, Miloš; Gruden, Maja; Zlatar, Matija; Mitić, Dragana; Anđelković, Katarina; Čobeljić, Božidar

(Elsevier, 2023)

TY  - JOUR
AU  - Jevtović, Mima
AU  - Pevec, Andrej
AU  - Turel, Iztok
AU  - Radanović, Dušanka
AU  - Milčić, Miloš
AU  - Gruden, Maja
AU  - Zlatar, Matija
AU  - Mitić, Dragana
AU  - Anđelković, Katarina
AU  - Čobeljić, Božidar
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/6788
AB  - In this paper, we report the  synthesis, characterization, and X-ray structure analysis of one octahedral Ni(II) complex,  [Ni(HL1 )2](BF4)2*H2O, formed by coordination of two ligands with NNS donor atom sets (HL1 ligand, (E)-2-(1-(thiazol-2-yl)ethylidene)hydrazine-1-carbothioamide), and Ni(III) complex,  [Ni(L2 )(N3)3], formed by coordination of one hydrazone ligand coordinated through NNO donor  set and three azide anions (HL2Cl ligand, (E)−1-(2-oxo-2-(2-(1-(pyridin-2- yl)ethylidene)hydrazinyl)ethyl)pyridin-1-ium chloride), complemented by DFT calculations. To the best of our knowledge this is the first Ni(III) complex obtained under ambient  conditions.
PB  - Elsevier
T2  - Inorganic Chemistry Communications
T1  - Nickel(II) and nickel(III) Thiosemicarbazone and Hydrazone Complexes: An Unexpected Journey
VL  - 158
SP  - 111582
DO  - 10.1016/j.inoche.2023.111582
ER  - 
@article{
author = "Jevtović, Mima and Pevec, Andrej and Turel, Iztok and Radanović, Dušanka and Milčić, Miloš and Gruden, Maja and Zlatar, Matija and Mitić, Dragana and Anđelković, Katarina and Čobeljić, Božidar",
year = "2023",
abstract = "In this paper, we report the  synthesis, characterization, and X-ray structure analysis of one octahedral Ni(II) complex,  [Ni(HL1 )2](BF4)2*H2O, formed by coordination of two ligands with NNS donor atom sets (HL1 ligand, (E)-2-(1-(thiazol-2-yl)ethylidene)hydrazine-1-carbothioamide), and Ni(III) complex,  [Ni(L2 )(N3)3], formed by coordination of one hydrazone ligand coordinated through NNO donor  set and three azide anions (HL2Cl ligand, (E)−1-(2-oxo-2-(2-(1-(pyridin-2- yl)ethylidene)hydrazinyl)ethyl)pyridin-1-ium chloride), complemented by DFT calculations. To the best of our knowledge this is the first Ni(III) complex obtained under ambient  conditions.",
publisher = "Elsevier",
journal = "Inorganic Chemistry Communications",
title = "Nickel(II) and nickel(III) Thiosemicarbazone and Hydrazone Complexes: An Unexpected Journey",
volume = "158",
pages = "111582",
doi = "10.1016/j.inoche.2023.111582"
}
Jevtović, M., Pevec, A., Turel, I., Radanović, D., Milčić, M., Gruden, M., Zlatar, M., Mitić, D., Anđelković, K.,& Čobeljić, B.. (2023). Nickel(II) and nickel(III) Thiosemicarbazone and Hydrazone Complexes: An Unexpected Journey. in Inorganic Chemistry Communications
Elsevier., 158, 111582.
https://doi.org/10.1016/j.inoche.2023.111582
Jevtović M, Pevec A, Turel I, Radanović D, Milčić M, Gruden M, Zlatar M, Mitić D, Anđelković K, Čobeljić B. Nickel(II) and nickel(III) Thiosemicarbazone and Hydrazone Complexes: An Unexpected Journey. in Inorganic Chemistry Communications. 2023;158:111582.
doi:10.1016/j.inoche.2023.111582 .
Jevtović, Mima, Pevec, Andrej, Turel, Iztok, Radanović, Dušanka, Milčić, Miloš, Gruden, Maja, Zlatar, Matija, Mitić, Dragana, Anđelković, Katarina, Čobeljić, Božidar, "Nickel(II) and nickel(III) Thiosemicarbazone and Hydrazone Complexes: An Unexpected Journey" in Inorganic Chemistry Communications, 158 (2023):111582,
https://doi.org/10.1016/j.inoche.2023.111582 . .

Poster presentation: Synthesis and characterization of Mn(II) and Fe(III) complexes with the condensation product of thiosemicarbazide and 2-acetylthiazole

Savić, Milica; Jevtović, Mima; Čobeljić, Božidar; Anđelković, Katarina; Mitić, Dragana

(TMMagCat project, 2023)

TY  - CONF
AU  - Savić, Milica
AU  - Jevtović, Mima
AU  - Čobeljić, Božidar
AU  - Anđelković, Katarina
AU  - Mitić, Dragana
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7316
AB  - Poster presented at The Training School of COST action CA21101 COSY ,,Multiscale modeling of the properties of compounds: From isolated molecules to 3D materials relevant for industrial and
astrophysical application", Belgrade, Serbia, 19th – 22nd September 2023.
PB  - TMMagCat project
T1  - Poster presentation: Synthesis and characterization of Mn(II) and Fe(III) complexes with the condensation product of thiosemicarbazide and 2-acetylthiazole
UR  - https://hdl.handle.net/21.15107/rcub_cer_7316
ER  - 
@conference{
author = "Savić, Milica and Jevtović, Mima and Čobeljić, Božidar and Anđelković, Katarina and Mitić, Dragana",
year = "2023",
abstract = "Poster presented at The Training School of COST action CA21101 COSY ,,Multiscale modeling of the properties of compounds: From isolated molecules to 3D materials relevant for industrial and
astrophysical application", Belgrade, Serbia, 19th – 22nd September 2023.",
publisher = "TMMagCat project",
title = "Poster presentation: Synthesis and characterization of Mn(II) and Fe(III) complexes with the condensation product of thiosemicarbazide and 2-acetylthiazole",
url = "https://hdl.handle.net/21.15107/rcub_cer_7316"
}
Savić, M., Jevtović, M., Čobeljić, B., Anđelković, K.,& Mitić, D.. (2023). Poster presentation: Synthesis and characterization of Mn(II) and Fe(III) complexes with the condensation product of thiosemicarbazide and 2-acetylthiazole. 
TMMagCat project..
https://hdl.handle.net/21.15107/rcub_cer_7316
Savić M, Jevtović M, Čobeljić B, Anđelković K, Mitić D. Poster presentation: Synthesis and characterization of Mn(II) and Fe(III) complexes with the condensation product of thiosemicarbazide and 2-acetylthiazole. 2023;.
https://hdl.handle.net/21.15107/rcub_cer_7316 .
Savić, Milica, Jevtović, Mima, Čobeljić, Božidar, Anđelković, Katarina, Mitić, Dragana, "Poster presentation: Synthesis and characterization of Mn(II) and Fe(III) complexes with the condensation product of thiosemicarbazide and 2-acetylthiazole" (2023),
https://hdl.handle.net/21.15107/rcub_cer_7316 .

Poster presentation: Synthesis of a New Family of Zn(II) Hydrazone Complexes: Characterisation, Catalytic Activity, and DFT Calculations

Jevtović, Mima; Savić, Milica; Anđelković, Katarina; Čobeljić, Božidar; Mitić, Dragana

(TMMagCat project, 2023)

TY  - CONF
AU  - Jevtović, Mima
AU  - Savić, Milica
AU  - Anđelković, Katarina
AU  - Čobeljić, Božidar
AU  - Mitić, Dragana
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7318
AB  - Poster presented at The Training School of COST action CA21101 COSY ,,Multiscale modeling of the properties of compounds: From isolated molecules to 3D materials relevant for industrial and аstrophysical applications" , Belgradе, Serbia,19th – 22nd September 2023.
PB  - TMMagCat project
T1  - Poster presentation: Synthesis of a New Family of Zn(II) Hydrazone Complexes: Characterisation, Catalytic Activity, and DFT Calculations
UR  - https://hdl.handle.net/21.15107/rcub_cer_7318
ER  - 
@conference{
author = "Jevtović, Mima and Savić, Milica and Anđelković, Katarina and Čobeljić, Božidar and Mitić, Dragana",
year = "2023",
abstract = "Poster presented at The Training School of COST action CA21101 COSY ,,Multiscale modeling of the properties of compounds: From isolated molecules to 3D materials relevant for industrial and аstrophysical applications" , Belgradе, Serbia,19th – 22nd September 2023.",
publisher = "TMMagCat project",
title = "Poster presentation: Synthesis of a New Family of Zn(II) Hydrazone Complexes: Characterisation, Catalytic Activity, and DFT Calculations",
url = "https://hdl.handle.net/21.15107/rcub_cer_7318"
}
Jevtović, M., Savić, M., Anđelković, K., Čobeljić, B.,& Mitić, D.. (2023). Poster presentation: Synthesis of a New Family of Zn(II) Hydrazone Complexes: Characterisation, Catalytic Activity, and DFT Calculations. 
TMMagCat project..
https://hdl.handle.net/21.15107/rcub_cer_7318
Jevtović M, Savić M, Anđelković K, Čobeljić B, Mitić D. Poster presentation: Synthesis of a New Family of Zn(II) Hydrazone Complexes: Characterisation, Catalytic Activity, and DFT Calculations. 2023;.
https://hdl.handle.net/21.15107/rcub_cer_7318 .
Jevtović, Mima, Savić, Milica, Anđelković, Katarina, Čobeljić, Božidar, Mitić, Dragana, "Poster presentation: Synthesis of a New Family of Zn(II) Hydrazone Complexes: Characterisation, Catalytic Activity, and DFT Calculations" (2023),
https://hdl.handle.net/21.15107/rcub_cer_7318 .

Correlating Structure and KA2 Catalytic Activity of Zn(II) Hydrazone Complexes

Adejumo, Temiloluwa T.; Danopoulou, Marianna; Zorba, Leandros P.; Pevec, Andrej; Zlatar, Matija; Radanović, Dušanka; Savić, Milica; Gruden, Maja; Anđelković, Katarina; Turel, Iztok; Čobeljić, Božidar; Vougioukalakis, Georgios C.

(Wiley, 2023)

TY  - JOUR
AU  - Adejumo, Temiloluwa T.
AU  - Danopoulou, Marianna
AU  - Zorba, Leandros P.
AU  - Pevec, Andrej
AU  - Zlatar, Matija
AU  - Radanović, Dušanka
AU  - Savić, Milica
AU  - Gruden, Maja
AU  - Anđelković, Katarina
AU  - Turel, Iztok
AU  - Čobeljić, Božidar
AU  - Vougioukalakis, Georgios C.
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7293
AB  - Two new Zn(II) complexes bearing tridentate hydrazone-based ligands with NNO or NNS donor atoms were synthesised and characterised by elemental analysis, infrared (IR) and nuclear magnetic resonance (NMR) spectroscopies, and single crystal X-ray diffraction methods. These complexes, together with four previously synthesised analogues, having hydrazone ligands with a NNO donor set of atoms, were successfully employed as catalysts in the ketone-amine-alkyne (KA2) coupling reaction, furnishing tetrasubstituted propargylamines, compounds with unique applications in organic chemistry. DFT calculations at the CAM-B3LYP/TZP level of theory were performed to elucidate the electronic structure of the investigated Zn(II) complexes, excellently correlating the structure of the complexes to their catalytic reactivity.
PB  - Wiley
T2  - European Journal of Inorganic Chemistry
T1  - Correlating Structure and KA2 Catalytic Activity of Zn(II) Hydrazone Complexes
VL  - 26
IS  - 33
SP  - e202300193
DO  - 10.1002/ejic.202300193
ER  - 
@article{
author = "Adejumo, Temiloluwa T. and Danopoulou, Marianna and Zorba, Leandros P. and Pevec, Andrej and Zlatar, Matija and Radanović, Dušanka and Savić, Milica and Gruden, Maja and Anđelković, Katarina and Turel, Iztok and Čobeljić, Božidar and Vougioukalakis, Georgios C.",
year = "2023",
abstract = "Two new Zn(II) complexes bearing tridentate hydrazone-based ligands with NNO or NNS donor atoms were synthesised and characterised by elemental analysis, infrared (IR) and nuclear magnetic resonance (NMR) spectroscopies, and single crystal X-ray diffraction methods. These complexes, together with four previously synthesised analogues, having hydrazone ligands with a NNO donor set of atoms, were successfully employed as catalysts in the ketone-amine-alkyne (KA2) coupling reaction, furnishing tetrasubstituted propargylamines, compounds with unique applications in organic chemistry. DFT calculations at the CAM-B3LYP/TZP level of theory were performed to elucidate the electronic structure of the investigated Zn(II) complexes, excellently correlating the structure of the complexes to their catalytic reactivity.",
publisher = "Wiley",
journal = "European Journal of Inorganic Chemistry",
title = "Correlating Structure and KA2 Catalytic Activity of Zn(II) Hydrazone Complexes",
volume = "26",
number = "33",
pages = "e202300193",
doi = "10.1002/ejic.202300193"
}
Adejumo, T. T., Danopoulou, M., Zorba, L. P., Pevec, A., Zlatar, M., Radanović, D., Savić, M., Gruden, M., Anđelković, K., Turel, I., Čobeljić, B.,& Vougioukalakis, G. C.. (2023). Correlating Structure and KA2 Catalytic Activity of Zn(II) Hydrazone Complexes. in European Journal of Inorganic Chemistry
Wiley., 26(33), e202300193.
https://doi.org/10.1002/ejic.202300193
Adejumo TT, Danopoulou M, Zorba LP, Pevec A, Zlatar M, Radanović D, Savić M, Gruden M, Anđelković K, Turel I, Čobeljić B, Vougioukalakis GC. Correlating Structure and KA2 Catalytic Activity of Zn(II) Hydrazone Complexes. in European Journal of Inorganic Chemistry. 2023;26(33):e202300193.
doi:10.1002/ejic.202300193 .
Adejumo, Temiloluwa T., Danopoulou, Marianna, Zorba, Leandros P., Pevec, Andrej, Zlatar, Matija, Radanović, Dušanka, Savić, Milica, Gruden, Maja, Anđelković, Katarina, Turel, Iztok, Čobeljić, Božidar, Vougioukalakis, Georgios C., "Correlating Structure and KA2 Catalytic Activity of Zn(II) Hydrazone Complexes" in European Journal of Inorganic Chemistry, 26, no. 33 (2023):e202300193,
https://doi.org/10.1002/ejic.202300193 . .
3
1
1

Synthesis and characterization of Mn(II) and Fe(III) complexes with the condensation product of thiosemicarbazide and 2-acetylthiazole

Savić, Milica; Jevtović, Mima; Čobeljić, Božidar; Anđelković, Katarina; Mitić, Dragana

(COST action CA21101 (COSY), 2023)

TY  - CONF
AU  - Savić, Milica
AU  - Jevtović, Mima
AU  - Čobeljić, Božidar
AU  - Anđelković, Katarina
AU  - Mitić, Dragana
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7317
AB  - The HL ligand, (E)-2-(1-(thiazol-2-yl)ethylidene)hydrazine-1-carbothioamide, was obtained  from the condensation reaction of thiosemicarbazide and 2-acetylthiazole in water. The reaction  of the HL ligand with the metal salt MnCl2·4H2O in a molar ratio 1:1 in methanol/water mixture  results in the formation of bis Mn(II) complex with composition [MnL2]. Complex 1 crystallizes  in the triclinic crystal system with space group P−1. The Mn(II) ion is hexacoordinated with two  tridentate ligands L through NNS sets of donor atoms. The geometry around the Mn is described  as a distorted trigonal prism (Fig. 1). The reaction of the ligand HL with Fe(BF4)2·6H2O in a molar ratio 1:1 in methanol results in the  formation of bis Fe(III) complex with composition [Fe(L)2]BF4·H2O. The Fe(III) ion with L  form six-coordinate complex in which two deprotonated ligand molecules coordinate in a mer  arrangement, forming a distorted octahedral complex by chelation through NNS sets of donor  atoms (Fig. 1). Complex 2 crystallizes in the orthorhombic crystal system with space group Pbca.
PB  - COST action CA21101 (COSY)
C3  - Book of abstracts - COST Training School, COST action CA21101 COSY, "Multiscale modeling of the properties of compounds: From isolated molecules to 3D materials relevant for industrial and astrophysical applications," 19th - 22nd September, 2023, Belgrade
T1  - Synthesis and characterization of Mn(II) and Fe(III) complexes with the condensation product of thiosemicarbazide and 2-acetylthiazole
SP  - 51
EP  - 51
UR  - https://hdl.handle.net/21.15107/rcub_cer_7317
ER  - 
@conference{
author = "Savić, Milica and Jevtović, Mima and Čobeljić, Božidar and Anđelković, Katarina and Mitić, Dragana",
year = "2023",
abstract = "The HL ligand, (E)-2-(1-(thiazol-2-yl)ethylidene)hydrazine-1-carbothioamide, was obtained  from the condensation reaction of thiosemicarbazide and 2-acetylthiazole in water. The reaction  of the HL ligand with the metal salt MnCl2·4H2O in a molar ratio 1:1 in methanol/water mixture  results in the formation of bis Mn(II) complex with composition [MnL2]. Complex 1 crystallizes  in the triclinic crystal system with space group P−1. The Mn(II) ion is hexacoordinated with two  tridentate ligands L through NNS sets of donor atoms. The geometry around the Mn is described  as a distorted trigonal prism (Fig. 1). The reaction of the ligand HL with Fe(BF4)2·6H2O in a molar ratio 1:1 in methanol results in the  formation of bis Fe(III) complex with composition [Fe(L)2]BF4·H2O. The Fe(III) ion with L  form six-coordinate complex in which two deprotonated ligand molecules coordinate in a mer  arrangement, forming a distorted octahedral complex by chelation through NNS sets of donor  atoms (Fig. 1). Complex 2 crystallizes in the orthorhombic crystal system with space group Pbca.",
publisher = "COST action CA21101 (COSY)",
journal = "Book of abstracts - COST Training School, COST action CA21101 COSY, "Multiscale modeling of the properties of compounds: From isolated molecules to 3D materials relevant for industrial and astrophysical applications," 19th - 22nd September, 2023, Belgrade",
title = "Synthesis and characterization of Mn(II) and Fe(III) complexes with the condensation product of thiosemicarbazide and 2-acetylthiazole",
pages = "51-51",
url = "https://hdl.handle.net/21.15107/rcub_cer_7317"
}
Savić, M., Jevtović, M., Čobeljić, B., Anđelković, K.,& Mitić, D.. (2023). Synthesis and characterization of Mn(II) and Fe(III) complexes with the condensation product of thiosemicarbazide and 2-acetylthiazole. in Book of abstracts - COST Training School, COST action CA21101 COSY, "Multiscale modeling of the properties of compounds: From isolated molecules to 3D materials relevant for industrial and astrophysical applications," 19th - 22nd September, 2023, Belgrade
COST action CA21101 (COSY)., 51-51.
https://hdl.handle.net/21.15107/rcub_cer_7317
Savić M, Jevtović M, Čobeljić B, Anđelković K, Mitić D. Synthesis and characterization of Mn(II) and Fe(III) complexes with the condensation product of thiosemicarbazide and 2-acetylthiazole. in Book of abstracts - COST Training School, COST action CA21101 COSY, "Multiscale modeling of the properties of compounds: From isolated molecules to 3D materials relevant for industrial and astrophysical applications," 19th - 22nd September, 2023, Belgrade. 2023;:51-51.
https://hdl.handle.net/21.15107/rcub_cer_7317 .
Savić, Milica, Jevtović, Mima, Čobeljić, Božidar, Anđelković, Katarina, Mitić, Dragana, "Synthesis and characterization of Mn(II) and Fe(III) complexes with the condensation product of thiosemicarbazide and 2-acetylthiazole" in Book of abstracts - COST Training School, COST action CA21101 COSY, "Multiscale modeling of the properties of compounds: From isolated molecules to 3D materials relevant for industrial and astrophysical applications," 19th - 22nd September, 2023, Belgrade (2023):51-51,
https://hdl.handle.net/21.15107/rcub_cer_7317 .

Synthesis of a New Family of Zn(II) Hydrazone Complexes: Characterisation, Catalytic Activity, and DFT Calculations

Jevtović, Mima; Savić, Milica; Anđelković, Katarina; Čobeljić, Božidar; Mitić, Dragana

(COST action CA21101 (COSY), 2023)

TY  - CONF
AU  - Jevtović, Mima
AU  - Savić, Milica
AU  - Anđelković, Katarina
AU  - Čobeljić, Božidar
AU  - Mitić, Dragana
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7319
AB  - The ligand (E)-2-(1-(thiazol-2-yl)ethylidene)hydrazine-1-carbothioamide (HL1 ) was obtained  from the condensation of 2-acetylthiazole and thiosemicarbazide. Upon reacting HL1 with  Zn(BF4)2·6H2O and NaN3 in a solvent mixture of water/methanol, mononuclear Zn(II) complex  1 with the composition [ZnL1 (N3)2] was obtained. In complex 1, Zn(II) is pentacoordinated with  the thiazole nitrogen, the azomethine nitrogen, and thiolate sulfur atoms from the deprotonated  hydrazone ligand, as well as with two azido ligands. Complex 1 crystallises in the monoclinic  crystal system with space group No.14 (P21/c cell setting). The unit cell of 1 contains four  [ZnL1 (N3)] asymmetric units. In complex 1, the Zn(II) site shows a distorted geometry, almost  midway between the square pyramid and trigonal bipyramid, established on the basis of a  calculated τ5 parameter of 0.46. The hydrazone ligand (E)-1-(2-oxo-2-(2-(1-(pyridin-2-yl)ethylidene)hydrazinyl)ethyl)-pyridine1-ium chloride (HL2 Cl) was obtained from the condensation reaction of 2-acetylpyridine and  Girard's P reagent. Reaction of HL2 Cl with Zn(BF4)2·6H2O and NaN3, in a mixture of  acetonitrile/water/methanol, gives mononuclear Zn(II) complex 2 with the composition  [ZnL2 (N3)2]. Reaction of HL2 Cl with Zn(BF4)2·6H2O and NaN3, in a mixture of  acetonitrile/water/methanol, gives mononuclear Zn(II) complex 2 with the composition  [ZnL2 (N3)2]. In complex 2, the Zn(II) ion has fivefold coordination with NNO-set of donor  atoms of L2 and two nitrogen atoms from the azido ligands. The calculated τ5 value of 0.08 for  [ZnL2 (N3)2] indicates that the five-coordination geometry of the Zn(II) ion is slightly distorted  square pyramidal. Evaluation of the catalytic properties of the Zn(II) complexes in the KA2 reaction shows that the  most active compound, when used as a catalyst, is complex 1. It leads to a 92 % isolated yield of  the desired propargylamine product. The catalytic activity results are in full agreement with the  findings of the DFT calculations. Complex 1 shows the highest value of molecular softness and  the lowest value of molecular hardness. This correlation, between experimental and theoretical  results, is excellently visualised in the linear relationship between the isolated yield of the  desired propargylamine product and the calculated molecular softness, S.
PB  - COST action CA21101 (COSY)
C3  - Book of abstracts - COST Training School, COST action CA21101 COSY, "Multiscale modeling of the properties of compounds: From isolated molecules to 3D materials relevant for industrial and astrophysical applications," 19th - 22nd September, 2023, Belgrade
T1  - Synthesis of a New Family of Zn(II) Hydrazone Complexes: Characterisation, Catalytic Activity, and DFT Calculations
SP  - 36
EP  - 36
UR  - https://hdl.handle.net/21.15107/rcub_cer_7319
ER  - 
@conference{
author = "Jevtović, Mima and Savić, Milica and Anđelković, Katarina and Čobeljić, Božidar and Mitić, Dragana",
year = "2023",
abstract = "The ligand (E)-2-(1-(thiazol-2-yl)ethylidene)hydrazine-1-carbothioamide (HL1 ) was obtained  from the condensation of 2-acetylthiazole and thiosemicarbazide. Upon reacting HL1 with  Zn(BF4)2·6H2O and NaN3 in a solvent mixture of water/methanol, mononuclear Zn(II) complex  1 with the composition [ZnL1 (N3)2] was obtained. In complex 1, Zn(II) is pentacoordinated with  the thiazole nitrogen, the azomethine nitrogen, and thiolate sulfur atoms from the deprotonated  hydrazone ligand, as well as with two azido ligands. Complex 1 crystallises in the monoclinic  crystal system with space group No.14 (P21/c cell setting). The unit cell of 1 contains four  [ZnL1 (N3)] asymmetric units. In complex 1, the Zn(II) site shows a distorted geometry, almost  midway between the square pyramid and trigonal bipyramid, established on the basis of a  calculated τ5 parameter of 0.46. The hydrazone ligand (E)-1-(2-oxo-2-(2-(1-(pyridin-2-yl)ethylidene)hydrazinyl)ethyl)-pyridine1-ium chloride (HL2 Cl) was obtained from the condensation reaction of 2-acetylpyridine and  Girard's P reagent. Reaction of HL2 Cl with Zn(BF4)2·6H2O and NaN3, in a mixture of  acetonitrile/water/methanol, gives mononuclear Zn(II) complex 2 with the composition  [ZnL2 (N3)2]. Reaction of HL2 Cl with Zn(BF4)2·6H2O and NaN3, in a mixture of  acetonitrile/water/methanol, gives mononuclear Zn(II) complex 2 with the composition  [ZnL2 (N3)2]. In complex 2, the Zn(II) ion has fivefold coordination with NNO-set of donor  atoms of L2 and two nitrogen atoms from the azido ligands. The calculated τ5 value of 0.08 for  [ZnL2 (N3)2] indicates that the five-coordination geometry of the Zn(II) ion is slightly distorted  square pyramidal. Evaluation of the catalytic properties of the Zn(II) complexes in the KA2 reaction shows that the  most active compound, when used as a catalyst, is complex 1. It leads to a 92 % isolated yield of  the desired propargylamine product. The catalytic activity results are in full agreement with the  findings of the DFT calculations. Complex 1 shows the highest value of molecular softness and  the lowest value of molecular hardness. This correlation, between experimental and theoretical  results, is excellently visualised in the linear relationship between the isolated yield of the  desired propargylamine product and the calculated molecular softness, S.",
publisher = "COST action CA21101 (COSY)",
journal = "Book of abstracts - COST Training School, COST action CA21101 COSY, "Multiscale modeling of the properties of compounds: From isolated molecules to 3D materials relevant for industrial and astrophysical applications," 19th - 22nd September, 2023, Belgrade",
title = "Synthesis of a New Family of Zn(II) Hydrazone Complexes: Characterisation, Catalytic Activity, and DFT Calculations",
pages = "36-36",
url = "https://hdl.handle.net/21.15107/rcub_cer_7319"
}
Jevtović, M., Savić, M., Anđelković, K., Čobeljić, B.,& Mitić, D.. (2023). Synthesis of a New Family of Zn(II) Hydrazone Complexes: Characterisation, Catalytic Activity, and DFT Calculations. in Book of abstracts - COST Training School, COST action CA21101 COSY, "Multiscale modeling of the properties of compounds: From isolated molecules to 3D materials relevant for industrial and astrophysical applications," 19th - 22nd September, 2023, Belgrade
COST action CA21101 (COSY)., 36-36.
https://hdl.handle.net/21.15107/rcub_cer_7319
Jevtović M, Savić M, Anđelković K, Čobeljić B, Mitić D. Synthesis of a New Family of Zn(II) Hydrazone Complexes: Characterisation, Catalytic Activity, and DFT Calculations. in Book of abstracts - COST Training School, COST action CA21101 COSY, "Multiscale modeling of the properties of compounds: From isolated molecules to 3D materials relevant for industrial and astrophysical applications," 19th - 22nd September, 2023, Belgrade. 2023;:36-36.
https://hdl.handle.net/21.15107/rcub_cer_7319 .
Jevtović, Mima, Savić, Milica, Anđelković, Katarina, Čobeljić, Božidar, Mitić, Dragana, "Synthesis of a New Family of Zn(II) Hydrazone Complexes: Characterisation, Catalytic Activity, and DFT Calculations" in Book of abstracts - COST Training School, COST action CA21101 COSY, "Multiscale modeling of the properties of compounds: From isolated molecules to 3D materials relevant for industrial and astrophysical applications," 19th - 22nd September, 2023, Belgrade (2023):36-36,
https://hdl.handle.net/21.15107/rcub_cer_7319 .

Binuclear azide-bridged hydrazone Cu(II) complex: Synthesis, characterization and evaluation of biological activity

Vitomirov, Teodora; Čobeljić, Božidar; Pevec, Andrej; Radanović, Dušanka; Novaković, Irena; Savić, Milica; Anđelković, Katarina; Šumar-Ristović, Maja

(Serbian Chemical Society, 2023)

TY  - JOUR
AU  - Vitomirov, Teodora
AU  - Čobeljić, Božidar
AU  - Pevec, Andrej
AU  - Radanović, Dušanka
AU  - Novaković, Irena
AU  - Savić, Milica
AU  - Anđelković, Katarina
AU  - Šumar-Ristović, Maja
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7320
AB  - The condensation product of 7-acetyl-6-azaindole and Girard's T reagent ((E)-2-(2-(1-(1H-pyrrolo[2,3-c]pyridin-7-yl)ethylidene)hydrazineyl)-N,N,N-trimethyl-2-oxoethan-1-aminium, HL ligand) was used as a ligand in the reaction with Cu(BF4)2·6H2O and NaN3. The reaction led to the formation of a binuclear Cu(II) complex containing two end-to-end (di-m-1,3-N3) azide bridges, as well as two NNO-donor hydrazone ligands, forming an axially elongated square pyramidal geometry around each Cu(II) center. This end-to-end (di-m-1,3-N3) azide bridge binding mode has not yet occurred in Cu(II) complexes containing the NNO-donor hydrazone ligands, which makes the structure of the complex even more interesting for further studies. The complex was characterized by elemental analysis, IR spectroscopy and X-ray crystallography, and it was found that it crystallizes in the triclinic space group P–1 with the asymmetric unit comprising one Cu(II) centre, zwitterionic ligand L, one azide (N3−) ligand, and BF4− counter anion. Examination of antimicrobial activity of the complex shows higher antifungal and antibacterial activity towards tested Gram-positive bacteria in comparison to the hydrazone ligand, with the antifungal activity of the complex even being comparable to the activity of amphotericin B.
AB  - Кондензациони производ 7-ацетил-6-азаиндола и Жираровог Т реагенса (лиганд HL) коришћен је  као    лиганд у  реакцији са Cu(BF4)2·6H2O и NaN3.  Реакција је  довела до формирања бинуклеарног Cu(II)комплекса који садржи два азидна моста у „end-to-end“ (di-mu-1,3-N3) моду, као и два NNO-донорска хидразонска лиганда који заједно формирају аксијално издужену квадратно-пирамидалну геометрију око   сваког централног металног јона. Овај „end-to-end“ (di-mu-1,3-N3) азидни мост се до сада није појављивао у структурама бакар(II) комплекса који садрже NNO-донорске хидразонске лиганде, што чини структуру комплекса још   интересантнијом за  будућа испитивања. Овај    комплекс је  окарактерисан елементалном анализом, ИЦ   спектроскопијом и  рендгенском структурном анализом и пронађено је  да   кристалише у  триклиничној просторној групи P–1 са   асиметричном јединицом која се састоји из једног Cu(II)центра, цвитер-јонског лиганда (L), једног азидног лиганда (N3−) и BF4−контра-јона. Испитивање антимикробне активности комплекса показало је вишу антифунгалну активност, као и вишу антибактеријску активност према Грам-позитивним бактеријама, у односу на сам хидразонски лиганд, док је антифунгална активност комплекса чак упоредива са активношћу амфотерицина Б који је коришћен као стандард.
PB  - Serbian Chemical Society
T2  - Journal of the Serbian Chemical Society
T1  - Binuclear azide-bridged hydrazone Cu(II) complex: Synthesis, characterization and evaluation of biological activity
T1  - Динуклеарни хидразонски комплекс Cu(II) са азидним мостом: синтеза, карактеризација и евалуација биолошке активности.
VL  - 88
IS  - 9
SP  - 877
EP  - 888
DO  - 10.2298/JSC230623044V
ER  - 
@article{
author = "Vitomirov, Teodora and Čobeljić, Božidar and Pevec, Andrej and Radanović, Dušanka and Novaković, Irena and Savić, Milica and Anđelković, Katarina and Šumar-Ristović, Maja",
year = "2023",
abstract = "The condensation product of 7-acetyl-6-azaindole and Girard's T reagent ((E)-2-(2-(1-(1H-pyrrolo[2,3-c]pyridin-7-yl)ethylidene)hydrazineyl)-N,N,N-trimethyl-2-oxoethan-1-aminium, HL ligand) was used as a ligand in the reaction with Cu(BF4)2·6H2O and NaN3. The reaction led to the formation of a binuclear Cu(II) complex containing two end-to-end (di-m-1,3-N3) azide bridges, as well as two NNO-donor hydrazone ligands, forming an axially elongated square pyramidal geometry around each Cu(II) center. This end-to-end (di-m-1,3-N3) azide bridge binding mode has not yet occurred in Cu(II) complexes containing the NNO-donor hydrazone ligands, which makes the structure of the complex even more interesting for further studies. The complex was characterized by elemental analysis, IR spectroscopy and X-ray crystallography, and it was found that it crystallizes in the triclinic space group P–1 with the asymmetric unit comprising one Cu(II) centre, zwitterionic ligand L, one azide (N3−) ligand, and BF4− counter anion. Examination of antimicrobial activity of the complex shows higher antifungal and antibacterial activity towards tested Gram-positive bacteria in comparison to the hydrazone ligand, with the antifungal activity of the complex even being comparable to the activity of amphotericin B., Кондензациони производ 7-ацетил-6-азаиндола и Жираровог Т реагенса (лиганд HL) коришћен је  као    лиганд у  реакцији са Cu(BF4)2·6H2O и NaN3.  Реакција је  довела до формирања бинуклеарног Cu(II)комплекса који садржи два азидна моста у „end-to-end“ (di-mu-1,3-N3) моду, као и два NNO-донорска хидразонска лиганда који заједно формирају аксијално издужену квадратно-пирамидалну геометрију око   сваког централног металног јона. Овај „end-to-end“ (di-mu-1,3-N3) азидни мост се до сада није појављивао у структурама бакар(II) комплекса који садрже NNO-донорске хидразонске лиганде, што чини структуру комплекса још   интересантнијом за  будућа испитивања. Овај    комплекс је  окарактерисан елементалном анализом, ИЦ   спектроскопијом и  рендгенском структурном анализом и пронађено је  да   кристалише у  триклиничној просторној групи P–1 са   асиметричном јединицом која се састоји из једног Cu(II)центра, цвитер-јонског лиганда (L), једног азидног лиганда (N3−) и BF4−контра-јона. Испитивање антимикробне активности комплекса показало је вишу антифунгалну активност, као и вишу антибактеријску активност према Грам-позитивним бактеријама, у односу на сам хидразонски лиганд, док је антифунгална активност комплекса чак упоредива са активношћу амфотерицина Б који је коришћен као стандард.",
publisher = "Serbian Chemical Society",
journal = "Journal of the Serbian Chemical Society",
title = "Binuclear azide-bridged hydrazone Cu(II) complex: Synthesis, characterization and evaluation of biological activity, Динуклеарни хидразонски комплекс Cu(II) са азидним мостом: синтеза, карактеризација и евалуација биолошке активности.",
volume = "88",
number = "9",
pages = "877-888",
doi = "10.2298/JSC230623044V"
}
Vitomirov, T., Čobeljić, B., Pevec, A., Radanović, D., Novaković, I., Savić, M., Anđelković, K.,& Šumar-Ristović, M.. (2023). Binuclear azide-bridged hydrazone Cu(II) complex: Synthesis, characterization and evaluation of biological activity. in Journal of the Serbian Chemical Society
Serbian Chemical Society., 88(9), 877-888.
https://doi.org/10.2298/JSC230623044V
Vitomirov T, Čobeljić B, Pevec A, Radanović D, Novaković I, Savić M, Anđelković K, Šumar-Ristović M. Binuclear azide-bridged hydrazone Cu(II) complex: Synthesis, characterization and evaluation of biological activity. in Journal of the Serbian Chemical Society. 2023;88(9):877-888.
doi:10.2298/JSC230623044V .
Vitomirov, Teodora, Čobeljić, Božidar, Pevec, Andrej, Radanović, Dušanka, Novaković, Irena, Savić, Milica, Anđelković, Katarina, Šumar-Ristović, Maja, "Binuclear azide-bridged hydrazone Cu(II) complex: Synthesis, characterization and evaluation of biological activity" in Journal of the Serbian Chemical Society, 88, no. 9 (2023):877-888,
https://doi.org/10.2298/JSC230623044V . .

Synthesis and characterization of binuclear azide-bridged hydrazone Cu(II) complex

Savić, Milica; Jevtović, Mima; Čobeljić, Božidar; Anđelković, Katarina

(Belgrade : Serbian Chemical Society, 2023)

TY  - CONF
AU  - Savić, Milica
AU  - Jevtović, Mima
AU  - Čobeljić, Božidar
AU  - Anđelković, Katarina
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7451
AB  - The condensation product of 7-acetyl-6-azaindole and Girard’s T reagent ((E)-2-(2-(1-
(1H-pyrrolo[2,3-c]pyridin-7-yl)ethylidene)hydrazineyl)-N,N,N-trimethyl-2-oxoethan-1-aminium, HL ligand) was used as a ligand in the reaction with Cu(BF4)2·6H2O and NaN3. The reaction led to the formation of a binuclear Cu(II) complex containing two end-to-end (di-µ-1,3-N3) azide bridges, as well as two NNO-donor hydrazone ligands, forming an axially elongated square pyramidal geometry around each Cu(II) center.
PB  - Belgrade : Serbian Chemical Society
PB  - Belgrade : Serbian Young Chemists’ Club
C3  - 9th Conference of Young Chemists of Serbia, Book of abstracts, 4th November 2023, Novi Sad, Serbia
T1  - Synthesis and characterization of binuclear azide-bridged hydrazone Cu(II) complex
SP  - 69
EP  - 69
UR  - https://hdl.handle.net/21.15107/rcub_cer_7451
ER  - 
@conference{
author = "Savić, Milica and Jevtović, Mima and Čobeljić, Božidar and Anđelković, Katarina",
year = "2023",
abstract = "The condensation product of 7-acetyl-6-azaindole and Girard’s T reagent ((E)-2-(2-(1-
(1H-pyrrolo[2,3-c]pyridin-7-yl)ethylidene)hydrazineyl)-N,N,N-trimethyl-2-oxoethan-1-aminium, HL ligand) was used as a ligand in the reaction with Cu(BF4)2·6H2O and NaN3. The reaction led to the formation of a binuclear Cu(II) complex containing two end-to-end (di-µ-1,3-N3) azide bridges, as well as two NNO-donor hydrazone ligands, forming an axially elongated square pyramidal geometry around each Cu(II) center.",
publisher = "Belgrade : Serbian Chemical Society, Belgrade : Serbian Young Chemists’ Club",
journal = "9th Conference of Young Chemists of Serbia, Book of abstracts, 4th November 2023, Novi Sad, Serbia",
title = "Synthesis and characterization of binuclear azide-bridged hydrazone Cu(II) complex",
pages = "69-69",
url = "https://hdl.handle.net/21.15107/rcub_cer_7451"
}
Savić, M., Jevtović, M., Čobeljić, B.,& Anđelković, K.. (2023). Synthesis and characterization of binuclear azide-bridged hydrazone Cu(II) complex. in 9th Conference of Young Chemists of Serbia, Book of abstracts, 4th November 2023, Novi Sad, Serbia
Belgrade : Serbian Chemical Society., 69-69.
https://hdl.handle.net/21.15107/rcub_cer_7451
Savić M, Jevtović M, Čobeljić B, Anđelković K. Synthesis and characterization of binuclear azide-bridged hydrazone Cu(II) complex. in 9th Conference of Young Chemists of Serbia, Book of abstracts, 4th November 2023, Novi Sad, Serbia. 2023;:69-69.
https://hdl.handle.net/21.15107/rcub_cer_7451 .
Savić, Milica, Jevtović, Mima, Čobeljić, Božidar, Anđelković, Katarina, "Synthesis and characterization of binuclear azide-bridged hydrazone Cu(II) complex" in 9th Conference of Young Chemists of Serbia, Book of abstracts, 4th November 2023, Novi Sad, Serbia (2023):69-69,
https://hdl.handle.net/21.15107/rcub_cer_7451 .

Poster presentation: "Synthesis and characterization of binuclear azide-bridged hydrazone Cu(II) complex"

Savić, Milica; Jevtović, Mima; Čobeljić, Božidar; Anđelković, Katarina

(TMMagCat project, 2023)

TY  - CONF
AU  - Savić, Milica
AU  - Jevtović, Mima
AU  - Čobeljić, Božidar
AU  - Anđelković, Katarina
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7452
AB  - The condensation product of 7-acetyl-6-azaindole and Girard’s T reagent ((E)-2-(2-(1-(1H-pyrrolo[2,3-c]pyridin-7-yl)ethylidene)hydrazineyl)-N,N,N-trimethyl-2-oxoethan-1-aminium, HL ligand) was used as a ligand in the reaction with Cu(BF4)2·6H2O and NaN3. The reaction led to the formation of a binuclear Cu(II) complex containing two end-to-end (di-µ-1,3-N3) azide bridges, as well as two NNO-donor hydrazone ligands, forming an axially elongated square pyramidal geometry around each Cu(II) center.
PB  - TMMagCat project
T1  - Poster presentation: "Synthesis and characterization of binuclear azide-bridged hydrazone Cu(II) complex"
UR  - https://hdl.handle.net/21.15107/rcub_cer_7452
ER  - 
@conference{
author = "Savić, Milica and Jevtović, Mima and Čobeljić, Božidar and Anđelković, Katarina",
year = "2023",
abstract = "The condensation product of 7-acetyl-6-azaindole and Girard’s T reagent ((E)-2-(2-(1-(1H-pyrrolo[2,3-c]pyridin-7-yl)ethylidene)hydrazineyl)-N,N,N-trimethyl-2-oxoethan-1-aminium, HL ligand) was used as a ligand in the reaction with Cu(BF4)2·6H2O and NaN3. The reaction led to the formation of a binuclear Cu(II) complex containing two end-to-end (di-µ-1,3-N3) azide bridges, as well as two NNO-donor hydrazone ligands, forming an axially elongated square pyramidal geometry around each Cu(II) center.",
publisher = "TMMagCat project",
title = "Poster presentation: "Synthesis and characterization of binuclear azide-bridged hydrazone Cu(II) complex"",
url = "https://hdl.handle.net/21.15107/rcub_cer_7452"
}
Savić, M., Jevtović, M., Čobeljić, B.,& Anđelković, K.. (2023). Poster presentation: "Synthesis and characterization of binuclear azide-bridged hydrazone Cu(II) complex". 
TMMagCat project..
https://hdl.handle.net/21.15107/rcub_cer_7452
Savić M, Jevtović M, Čobeljić B, Anđelković K. Poster presentation: "Synthesis and characterization of binuclear azide-bridged hydrazone Cu(II) complex". 2023;.
https://hdl.handle.net/21.15107/rcub_cer_7452 .
Savić, Milica, Jevtović, Mima, Čobeljić, Božidar, Anđelković, Katarina, "Poster presentation: "Synthesis and characterization of binuclear azide-bridged hydrazone Cu(II) complex"" (2023),
https://hdl.handle.net/21.15107/rcub_cer_7452 .

Supporting Information for: "Correlating Structure and KA2 Catalytic Activity of Zn(II) Hydrazone Complexes"

Adejumo, Temiloluwa T.; Danopoulou, Marianna; Zorba, Leandros P.; Pevec, Andrej; Zlatar, Matija; Radanović, Dušanka; Savić, Milica; Gruden, Maja; Anđelković, Katarina; Turel, Iztok; Čobeljić, Božidar; Vougioukalakis, Georgios C.

(Wiley, 2023)

TY  - DATA
AU  - Adejumo, Temiloluwa T.
AU  - Danopoulou, Marianna
AU  - Zorba, Leandros P.
AU  - Pevec, Andrej
AU  - Zlatar, Matija
AU  - Radanović, Dušanka
AU  - Savić, Milica
AU  - Gruden, Maja
AU  - Anđelković, Katarina
AU  - Turel, Iztok
AU  - Čobeljić, Božidar
AU  - Vougioukalakis, Georgios C.
PY  - 2023
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7527
AB  - Two new Zn(II) complexes bearing tridentate hydrazone-based ligands with NNO or NNS donor atoms were synthesised and characterised by elemental analysis, infrared (IR) and nuclear magnetic resonance (NMR) spectroscopies, and single crystal X-ray diffraction methods. These complexes, together with four previously synthesised analogues, having hydrazone ligands with a NNO donor set of atoms, were successfully employed as catalysts in the ketone-amine-alkyne (KA2) coupling reaction, furnishing tetrasubstituted propargylamines, compounds with unique applications in organic chemistry. DFT calculations at the CAM-B3LYP/TZP level of theory were performed to elucidate the electronic structure of the investigated Zn(II) complexes, excellently correlating the structure of the complexes to their catalytic reactivity.
AB  - The structural parameters, the selected bond lengths and angles and the raw data of the IR and NMR spectra for complexes 3 and 4 and their corresponding ligands. Additional computational results. Cartesian coordinates of all DFT optimized structures.
PB  - Wiley
T2  - European Journal of Inorganic Chemistry
T1  - Supporting Information for: "Correlating Structure and KA2 Catalytic Activity of Zn(II) Hydrazone Complexes"
DO  - 10.1002/ejic.202300193
ER  - 
@misc{
author = "Adejumo, Temiloluwa T. and Danopoulou, Marianna and Zorba, Leandros P. and Pevec, Andrej and Zlatar, Matija and Radanović, Dušanka and Savić, Milica and Gruden, Maja and Anđelković, Katarina and Turel, Iztok and Čobeljić, Božidar and Vougioukalakis, Georgios C.",
year = "2023",
abstract = "Two new Zn(II) complexes bearing tridentate hydrazone-based ligands with NNO or NNS donor atoms were synthesised and characterised by elemental analysis, infrared (IR) and nuclear magnetic resonance (NMR) spectroscopies, and single crystal X-ray diffraction methods. These complexes, together with four previously synthesised analogues, having hydrazone ligands with a NNO donor set of atoms, were successfully employed as catalysts in the ketone-amine-alkyne (KA2) coupling reaction, furnishing tetrasubstituted propargylamines, compounds with unique applications in organic chemistry. DFT calculations at the CAM-B3LYP/TZP level of theory were performed to elucidate the electronic structure of the investigated Zn(II) complexes, excellently correlating the structure of the complexes to their catalytic reactivity., The structural parameters, the selected bond lengths and angles and the raw data of the IR and NMR spectra for complexes 3 and 4 and their corresponding ligands. Additional computational results. Cartesian coordinates of all DFT optimized structures.",
publisher = "Wiley",
journal = "European Journal of Inorganic Chemistry",
title = "Supporting Information for: "Correlating Structure and KA2 Catalytic Activity of Zn(II) Hydrazone Complexes"",
doi = "10.1002/ejic.202300193"
}
Adejumo, T. T., Danopoulou, M., Zorba, L. P., Pevec, A., Zlatar, M., Radanović, D., Savić, M., Gruden, M., Anđelković, K., Turel, I., Čobeljić, B.,& Vougioukalakis, G. C.. (2023). Supporting Information for: "Correlating Structure and KA2 Catalytic Activity of Zn(II) Hydrazone Complexes". in European Journal of Inorganic Chemistry
Wiley..
https://doi.org/10.1002/ejic.202300193
Adejumo TT, Danopoulou M, Zorba LP, Pevec A, Zlatar M, Radanović D, Savić M, Gruden M, Anđelković K, Turel I, Čobeljić B, Vougioukalakis GC. Supporting Information for: "Correlating Structure and KA2 Catalytic Activity of Zn(II) Hydrazone Complexes". in European Journal of Inorganic Chemistry. 2023;.
doi:10.1002/ejic.202300193 .
Adejumo, Temiloluwa T., Danopoulou, Marianna, Zorba, Leandros P., Pevec, Andrej, Zlatar, Matija, Radanović, Dušanka, Savić, Milica, Gruden, Maja, Anđelković, Katarina, Turel, Iztok, Čobeljić, Božidar, Vougioukalakis, Georgios C., "Supporting Information for: "Correlating Structure and KA2 Catalytic Activity of Zn(II) Hydrazone Complexes"" in European Journal of Inorganic Chemistry (2023),
https://doi.org/10.1002/ejic.202300193 . .
3
1