TY  - CONF
AU  - Ninković, Dragan
AU  - Romanović, Mima
AU  - Savić, Milica
AU  - Čobeljić, Božidar
AU  - Milčić, Miloš
AU  - Gruden, Maja
AU  - Zlatar, Matija
PY  - 2024
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7676
AB  - Sintetizovali smo seriju Ni kompleksa koristeći različite donorske ligande na bazi NNO hidrazona i azidne anjone. Tri kompleksa su kristalizovala kao dvonuklearna, Ni(II) jona su koordinovani sa NNO ligandom i tri azidna liganda (dva mostna). U četvrtom kompleksu, Ni (II) je koordinovan sa dva NNO liganda. Da bismo razumeli ove različite ishode, izračunali smo ΔG energije za dimerizaciju i formiranje kompleksa sa dva NNO liganda, iz mononuklearnih kompleksa. Energije su izračunate koristeći M06-2X metodu sa Grimeovom D3 disperzionom korekcijom i def2-TZVP bazisom. Iako je dimerizacija povoljnija u svim slučajevima, ΔG energetska razlika je samo 1,7 kcal/mol za četvrti kompleks. Ova mala razlika se može prevazići energijama interakcije sa rastvorom ili u kristalnim strukturama. ΔG energetske razlike u drugim kompleksima su od 5 kcal/mol do 15 kcal/mol.
AB  - We have synthesized a series of a Ni complex using different NNO hydrazone-based donor ligands and azide anions. Three complexes crystallized as dinuclear, Ni(II) ions are coordinated with NNO ligand and three azide ligands (two bridging). In the fourth complex, Ni(II) is coordinated with two NNO ligands. To understand these different outcomes, we calculated the ΔG energies for dimerization and formation of complexes with two NNO ligands, from mononuclear complexes. The energies are calculated using the M06-2X method with Grimmes D3 dispersion correction and def2-TZVP basis. Aldo the dimerization is more favorable in all cases, the ΔG energy difference is only 1.7 kcal/mole for the fourth complex. This small difference could be overcome by the interaction energies with the solution or in the crystal structures. The ΔG energy differences in other complexes are from 5 kcal/mol to 15 kcal/mol.
PB  - Serbian Chemical Society
C3  - 60th Meeting of the Serbian Chemical Society, Book of Abstracts, Niš, Serbia, June 8-9, 2024 / 60. Savetovanje Srpskog hemijskog društva, Kratki izvodi radova,  8. i 9. jun 2024. godine
T1  - DFT study of the dimerization of Ni(II) complexes
T1  - DFT ispitivanje dimerizacije Ni(II) kompleksa
SP  - 97
EP  - 97
UR  - https://hdl.handle.net/21.15107/rcub_cer_7676
ER  - 

@conference{
author = "Ninković, Dragan and Romanović, Mima and Savić, Milica and Čobeljić, Božidar and Milčić, Miloš and Gruden, Maja and Zlatar, Matija",
year = "2024",
abstract = "Sintetizovali smo seriju Ni kompleksa koristeći različite donorske ligande na bazi NNO hidrazona i azidne anjone. Tri kompleksa su kristalizovala kao dvonuklearna, Ni(II) jona su koordinovani sa NNO ligandom i tri azidna liganda (dva mostna). U četvrtom kompleksu, Ni (II) je koordinovan sa dva NNO liganda. Da bismo razumeli ove različite ishode, izračunali smo ΔG energije za dimerizaciju i formiranje kompleksa sa dva NNO liganda, iz mononuklearnih kompleksa. Energije su izračunate koristeći M06-2X metodu sa Grimeovom D3 disperzionom korekcijom i def2-TZVP bazisom. Iako je dimerizacija povoljnija u svim slučajevima, ΔG energetska razlika je samo 1,7 kcal/mol za četvrti kompleks. Ova mala razlika se može prevazići energijama interakcije sa rastvorom ili u kristalnim strukturama. ΔG energetske razlike u drugim kompleksima su od 5 kcal/mol do 15 kcal/mol., We have synthesized a series of a Ni complex using different NNO hydrazone-based donor ligands and azide anions. Three complexes crystallized as dinuclear, Ni(II) ions are coordinated with NNO ligand and three azide ligands (two bridging). In the fourth complex, Ni(II) is coordinated with two NNO ligands. To understand these different outcomes, we calculated the ΔG energies for dimerization and formation of complexes with two NNO ligands, from mononuclear complexes. The energies are calculated using the M06-2X method with Grimmes D3 dispersion correction and def2-TZVP basis. Aldo the dimerization is more favorable in all cases, the ΔG energy difference is only 1.7 kcal/mole for the fourth complex. This small difference could be overcome by the interaction energies with the solution or in the crystal structures. The ΔG energy differences in other complexes are from 5 kcal/mol to 15 kcal/mol.",
publisher = "Serbian Chemical Society",
journal = "60th Meeting of the Serbian Chemical Society, Book of Abstracts, Niš, Serbia, June 8-9, 2024 / 60. Savetovanje Srpskog hemijskog društva, Kratki izvodi radova,  8. i 9. jun 2024. godine",
title = "DFT study of the dimerization of Ni(II) complexes, DFT ispitivanje dimerizacije Ni(II) kompleksa",
pages = "97-97",
url = "https://hdl.handle.net/21.15107/rcub_cer_7676"
}

Ninković, D., Romanović, M., Savić, M., Čobeljić, B., Milčić, M., Gruden, M.,& Zlatar, M.. (2024). DFT study of the dimerization of Ni(II) complexes. in 60th Meeting of the Serbian Chemical Society, Book of Abstracts, Niš, Serbia, June 8-9, 2024 / 60. Savetovanje Srpskog hemijskog društva, Kratki izvodi radova,  8. i 9. jun 2024. godine
Serbian Chemical Society., 97-97.
https://hdl.handle.net/21.15107/rcub_cer_7676

Ninković D, Romanović M, Savić M, Čobeljić B, Milčić M, Gruden M, Zlatar M. DFT study of the dimerization of Ni(II) complexes. in 60th Meeting of the Serbian Chemical Society, Book of Abstracts, Niš, Serbia, June 8-9, 2024 / 60. Savetovanje Srpskog hemijskog društva, Kratki izvodi radova,  8. i 9. jun 2024. godine. 2024;:97-97.
https://hdl.handle.net/21.15107/rcub_cer_7676 .

Ninković, Dragan, Romanović, Mima, Savić, Milica, Čobeljić, Božidar, Milčić, Miloš, Gruden, Maja, Zlatar, Matija, "DFT study of the dimerization of Ni(II) complexes" in 60th Meeting of the Serbian Chemical Society, Book of Abstracts, Niš, Serbia, June 8-9, 2024 / 60. Savetovanje Srpskog hemijskog društva, Kratki izvodi radova,  8. i 9. jun 2024. godine (2024):97-97,
https://hdl.handle.net/21.15107/rcub_cer_7676 .

TY  - CONF
AU  - Čobeljić, Božidar
AU  - Savić, Milica
AU  - Zlatar, Matija
AU  - Gruden, Maja
PY  - 2024
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7673
AB  - Kondenzacionom reakcijom 2-acetil-6-brompiridina sa Žirarovim T reagensom dobijen je ligand HLCl (E)-2-(2-(1-(6-brompiridin-2-il)etiliden)hidrazinil)-N,N,N- trimetil-2-oksoetan-1-aminijum hlorid. Oktaedarski kompleks 1, opšte formule [ZnL2](BF4)2 koji sadrži dva koordinovana liganda, dobijen je u reakciji liganda sa Zn(BF4)2 i NaN3 u molarnom odnosu 1:1:4. Kompleks 2 je dobijen pod istim reakcionim uslovima kao i kompleks 1 pri čemu je Zn(II) pentakoordinovan preko NNO seta atoma jednog molekula liganda i dva NCO– liganda. Međutim, reakcijom HLCl sa Zn(BF4)2 i NaN3 u višku (1:1:12) formiran je kompleks 3, opšte formule [ZnL(N3)2]. DFT proračuni su izvedeni da bi se poboljšalo razumevanje struktura kompleksa i potvrdila njihova struktura u rastvoru.
AB  - The condensation of 2-acetyl-6-bromopyridine with Girard's T reagent produced the ligand HLCl (E)-2-(2-(1-(6-bromopyridin-2-yl)ethylidene)hydrazinyl)-N,N,N-trimethyl-2-oxoethan-1-aminium chloride. Complex 1, an octahedral complex containing two molecules of the coordinated ligand, was obtained when the ligand reacted with Zn(BF4)2·6H2O and NaN3 in molar ratio 1:1:4. Complex 2, was obtained under the same reaction conditions as complex 1 where Zn(II) is pentacoordinated via one ligand molecule through NNO set of atoms and two NCO– ligands. However, by reacting HLCl with Zn(BF4)2·6H2O and NaN3 in excess (1:1:12) complex 3 with different composition, [ZnL(N3)2], was formed. Density functional theory (DFT) calculations were performed to enhance our understanding of the structures of the complexes in the solution.
PB  - TMMagCat project
C3  - 2024
T1  - Poster presentation: "Synthesis and stability of Zn(II) hydrazone complexes"
UR  - https://hdl.handle.net/21.15107/rcub_cer_7673
ER  - 

@conference{
author = "Čobeljić, Božidar and Savić, Milica and Zlatar, Matija and Gruden, Maja",
year = "2024",
abstract = "Kondenzacionom reakcijom 2-acetil-6-brompiridina sa Žirarovim T reagensom dobijen je ligand HLCl (E)-2-(2-(1-(6-brompiridin-2-il)etiliden)hidrazinil)-N,N,N- trimetil-2-oksoetan-1-aminijum hlorid. Oktaedarski kompleks 1, opšte formule [ZnL2](BF4)2 koji sadrži dva koordinovana liganda, dobijen je u reakciji liganda sa Zn(BF4)2 i NaN3 u molarnom odnosu 1:1:4. Kompleks 2 je dobijen pod istim reakcionim uslovima kao i kompleks 1 pri čemu je Zn(II) pentakoordinovan preko NNO seta atoma jednog molekula liganda i dva NCO– liganda. Međutim, reakcijom HLCl sa Zn(BF4)2 i NaN3 u višku (1:1:12) formiran je kompleks 3, opšte formule [ZnL(N3)2]. DFT proračuni su izvedeni da bi se poboljšalo razumevanje struktura kompleksa i potvrdila njihova struktura u rastvoru., The condensation of 2-acetyl-6-bromopyridine with Girard's T reagent produced the ligand HLCl (E)-2-(2-(1-(6-bromopyridin-2-yl)ethylidene)hydrazinyl)-N,N,N-trimethyl-2-oxoethan-1-aminium chloride. Complex 1, an octahedral complex containing two molecules of the coordinated ligand, was obtained when the ligand reacted with Zn(BF4)2·6H2O and NaN3 in molar ratio 1:1:4. Complex 2, was obtained under the same reaction conditions as complex 1 where Zn(II) is pentacoordinated via one ligand molecule through NNO set of atoms and two NCO– ligands. However, by reacting HLCl with Zn(BF4)2·6H2O and NaN3 in excess (1:1:12) complex 3 with different composition, [ZnL(N3)2], was formed. Density functional theory (DFT) calculations were performed to enhance our understanding of the structures of the complexes in the solution.",
publisher = "TMMagCat project",
journal = "2024",
title = "Poster presentation: "Synthesis and stability of Zn(II) hydrazone complexes"",
url = "https://hdl.handle.net/21.15107/rcub_cer_7673"
}

Čobeljić, B., Savić, M., Zlatar, M.,& Gruden, M.. (2024). Poster presentation: "Synthesis and stability of Zn(II) hydrazone complexes". in 2024
TMMagCat project..
https://hdl.handle.net/21.15107/rcub_cer_7673

Čobeljić B, Savić M, Zlatar M, Gruden M. Poster presentation: "Synthesis and stability of Zn(II) hydrazone complexes". in 2024. 2024;.
https://hdl.handle.net/21.15107/rcub_cer_7673 .

Čobeljić, Božidar, Savić, Milica, Zlatar, Matija, Gruden, Maja, "Poster presentation: "Synthesis and stability of Zn(II) hydrazone complexes"" in 2024 (2024),
https://hdl.handle.net/21.15107/rcub_cer_7673 .

TY  - CONF
AU  - Savić, Milica
AU  - Čobeljić, Božidar
AU  - Zlatar, Matija
AU  - Milčić, Miloš
PY  - 2024
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7672
AB  - Three new Zn(II) complexes with (E)-2-(2-(1-(6-bromopyridin-2-yl)ethylidene)hydrazinyl)-N,N,N-trimethyl-2-oxoethan-1-aminium chloride (HLCl) have been synthesized and characterized in the solid state and in solution by different methods. Complex 1 forms an octahedral geometry, while complexes 2 and 3 form distorted trigonal bipyramidal geometry. The biological activity of these complexes was tested against a panel of Gram-negative and Gram-positive bacteria, two fungal strains, and a yeast strain. Molecular docking analysis predicted that geranylgeranyl pyrophosphate synthase, an enzyme essential for sterol biosynthesis is the most likely target for inhibition by the tested complexes.
AB  - Tri nova kompleksa Zn(II) sa (E)-2-(2-(1-(6-brompiridin-2-il)etiliden)hidrazinil)-N,N,N-trimetil-2-oksoetan-1-aminijum hloridom HLCl su sintetisana i okarakterisana u čvrstom stanju i u rastvoru različitim metodama. Kompleks 1 formira oktaedarsku geometriju, dok kompleksi 2 i 3 formiraju iskrivljenu trigonalno bipiramidalnu geometriju. Biološka aktivnost ovih kompleksa je testirana na panelu gram-negativnih i gram-pozitivnih bakterija, dva soja gljivica i jedan soj kvasca. Doking analiza je predvidela da je geranilgeranil-pirofosfat sintaza, enzim neophodan za biosintezu sterola, najverovatnija meta za inhibiciju testiranih kompleksa.
PB  - TMMagCat project
C3  - 2024
T1  - Poster presentation: "Evaluation of the biological activity of zinc(II) hydrazone complexes"
UR  - https://hdl.handle.net/21.15107/rcub_cer_7672
ER  - 

@conference{
author = "Savić, Milica and Čobeljić, Božidar and Zlatar, Matija and Milčić, Miloš",
year = "2024",
abstract = "Three new Zn(II) complexes with (E)-2-(2-(1-(6-bromopyridin-2-yl)ethylidene)hydrazinyl)-N,N,N-trimethyl-2-oxoethan-1-aminium chloride (HLCl) have been synthesized and characterized in the solid state and in solution by different methods. Complex 1 forms an octahedral geometry, while complexes 2 and 3 form distorted trigonal bipyramidal geometry. The biological activity of these complexes was tested against a panel of Gram-negative and Gram-positive bacteria, two fungal strains, and a yeast strain. Molecular docking analysis predicted that geranylgeranyl pyrophosphate synthase, an enzyme essential for sterol biosynthesis is the most likely target for inhibition by the tested complexes., Tri nova kompleksa Zn(II) sa (E)-2-(2-(1-(6-brompiridin-2-il)etiliden)hidrazinil)-N,N,N-trimetil-2-oksoetan-1-aminijum hloridom HLCl su sintetisana i okarakterisana u čvrstom stanju i u rastvoru različitim metodama. Kompleks 1 formira oktaedarsku geometriju, dok kompleksi 2 i 3 formiraju iskrivljenu trigonalno bipiramidalnu geometriju. Biološka aktivnost ovih kompleksa je testirana na panelu gram-negativnih i gram-pozitivnih bakterija, dva soja gljivica i jedan soj kvasca. Doking analiza je predvidela da je geranilgeranil-pirofosfat sintaza, enzim neophodan za biosintezu sterola, najverovatnija meta za inhibiciju testiranih kompleksa.",
publisher = "TMMagCat project",
journal = "2024",
title = "Poster presentation: "Evaluation of the biological activity of zinc(II) hydrazone complexes"",
url = "https://hdl.handle.net/21.15107/rcub_cer_7672"
}

Savić, M., Čobeljić, B., Zlatar, M.,& Milčić, M.. (2024). Poster presentation: "Evaluation of the biological activity of zinc(II) hydrazone complexes". in 2024
TMMagCat project..
https://hdl.handle.net/21.15107/rcub_cer_7672

Savić M, Čobeljić B, Zlatar M, Milčić M. Poster presentation: "Evaluation of the biological activity of zinc(II) hydrazone complexes". in 2024. 2024;.
https://hdl.handle.net/21.15107/rcub_cer_7672 .

Savić, Milica, Čobeljić, Božidar, Zlatar, Matija, Milčić, Miloš, "Poster presentation: "Evaluation of the biological activity of zinc(II) hydrazone complexes"" in 2024 (2024),
https://hdl.handle.net/21.15107/rcub_cer_7672 .

TY  - CONF
AU  - Savić, Milica
AU  - Čobeljić, Božidar
AU  - Zlatar, Matija
AU  - Milčić, Miloš
PY  - 2024
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7677
AB  - Tri nova kompleksa Zn(II) sa (E)-2-(2-(1-(6-brompiridin-2-il)etiliden)hidrazinil)-N,N,N-trimetil-2-oksoetan-1-aminijum hloridom HLCl su sintetisana i okarakterisana u čvrstom stanju i u rastvoru različitim metodama. Kompleks 1 formira oktaedarsku geometriju, dok kompleksi 2 i 3 formiraju iskrivljenu trigonalno bipiramidalnu geometriju. Biološka aktivnost ovih kompleksa je testirana na panelu gram-negativnih i gram-pozitivnih bakterija, dva soja gljivica i jedan soj kvasca. Doking analiza je predvidela da je geranilgeranil-pirofosfat sintaza, enzim neophodan za biosintezu sterola, najverovatnija meta za inhibiciju testiranih kompleksa.
AB  - Three new Zn(II) complexes with (E)-2-(2-(1-(6-bromopyridin-2-yl)ethylidene)hydrazinyl)-N,N,N-trimethyl-2-oxoethan-1-aminium chloride (HLCl) have been synthesized and characterized in the solid state and in solution by different methods. Complex 1 forms an octahedral geometry, while complexes 2 and 3 form distorted trigonal bipyramidal geometry. The biological activity of these complexes was tested against a panel of Gram-negative and Gram-positive bacteria, two fungal strains, and a yeast strain. Molecular docking analysis predicted that geranylgeranyl pyrophosphate synthase, an enzyme essential for sterol biosynthesis is the most likely target for inhibition by the tested complexes.
PB  - Belgrade : Serbian Chemical Society
C3  - 60th Meeting of the Serbian Chemical Society, Book of Abstracts, Niš, Serbia, June 8-9, 2024 / 60. Savetovanje Srpskog hemijskog društva, Kratki izvodi radova, 8. i 9. jun 2024. godine
T1  - Evaluation of the biological activity of zinc(II) hydrazone complexes
T1  - Evaluacija biološke aktivnosti hidrazonskih kompleksa cinka
SP  - 95
EP  - 95
UR  - https://hdl.handle.net/21.15107/rcub_cer_7677
ER  - 

@conference{
author = "Savić, Milica and Čobeljić, Božidar and Zlatar, Matija and Milčić, Miloš",
year = "2024",
abstract = "Tri nova kompleksa Zn(II) sa (E)-2-(2-(1-(6-brompiridin-2-il)etiliden)hidrazinil)-N,N,N-trimetil-2-oksoetan-1-aminijum hloridom HLCl su sintetisana i okarakterisana u čvrstom stanju i u rastvoru različitim metodama. Kompleks 1 formira oktaedarsku geometriju, dok kompleksi 2 i 3 formiraju iskrivljenu trigonalno bipiramidalnu geometriju. Biološka aktivnost ovih kompleksa je testirana na panelu gram-negativnih i gram-pozitivnih bakterija, dva soja gljivica i jedan soj kvasca. Doking analiza je predvidela da je geranilgeranil-pirofosfat sintaza, enzim neophodan za biosintezu sterola, najverovatnija meta za inhibiciju testiranih kompleksa., Three new Zn(II) complexes with (E)-2-(2-(1-(6-bromopyridin-2-yl)ethylidene)hydrazinyl)-N,N,N-trimethyl-2-oxoethan-1-aminium chloride (HLCl) have been synthesized and characterized in the solid state and in solution by different methods. Complex 1 forms an octahedral geometry, while complexes 2 and 3 form distorted trigonal bipyramidal geometry. The biological activity of these complexes was tested against a panel of Gram-negative and Gram-positive bacteria, two fungal strains, and a yeast strain. Molecular docking analysis predicted that geranylgeranyl pyrophosphate synthase, an enzyme essential for sterol biosynthesis is the most likely target for inhibition by the tested complexes.",
publisher = "Belgrade : Serbian Chemical Society",
journal = "60th Meeting of the Serbian Chemical Society, Book of Abstracts, Niš, Serbia, June 8-9, 2024 / 60. Savetovanje Srpskog hemijskog društva, Kratki izvodi radova, 8. i 9. jun 2024. godine",
title = "Evaluation of the biological activity of zinc(II) hydrazone complexes, Evaluacija biološke aktivnosti hidrazonskih kompleksa cinka",
pages = "95-95",
url = "https://hdl.handle.net/21.15107/rcub_cer_7677"
}

Savić, M., Čobeljić, B., Zlatar, M.,& Milčić, M.. (2024). Evaluation of the biological activity of zinc(II) hydrazone complexes. in 60th Meeting of the Serbian Chemical Society, Book of Abstracts, Niš, Serbia, June 8-9, 2024 / 60. Savetovanje Srpskog hemijskog društva, Kratki izvodi radova, 8. i 9. jun 2024. godine
Belgrade : Serbian Chemical Society., 95-95.
https://hdl.handle.net/21.15107/rcub_cer_7677

Savić M, Čobeljić B, Zlatar M, Milčić M. Evaluation of the biological activity of zinc(II) hydrazone complexes. in 60th Meeting of the Serbian Chemical Society, Book of Abstracts, Niš, Serbia, June 8-9, 2024 / 60. Savetovanje Srpskog hemijskog društva, Kratki izvodi radova, 8. i 9. jun 2024. godine. 2024;:95-95.
https://hdl.handle.net/21.15107/rcub_cer_7677 .

Savić, Milica, Čobeljić, Božidar, Zlatar, Matija, Milčić, Miloš, "Evaluation of the biological activity of zinc(II) hydrazone complexes" in 60th Meeting of the Serbian Chemical Society, Book of Abstracts, Niš, Serbia, June 8-9, 2024 / 60. Savetovanje Srpskog hemijskog društva, Kratki izvodi radova, 8. i 9. jun 2024. godine (2024):95-95,
https://hdl.handle.net/21.15107/rcub_cer_7677 .

TY  - CONF
AU  - Čobeljić, Božidar
AU  - Savić, Milica
AU  - Zlatar, Matija
AU  - Gruden, Maja
PY  - 2024
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7678
AB  - Kondenzacionom reakcijom 2-acetil-6-brompiridina sa Žirarovim T reagensom dobijen je ligand HLCl (E)-2-(2-(1-(6-brompiridin-2-il)etiliden)hidrazinil)-N,N,N- trimetil-2-oksoetan-1-aminijum hlorid. Oktaedarski kompleks 1, opšte formule [ZnL2](BF4)2 koji sadrži dva koordinovana liganda, dobijen je u reakciji liganda sa Zn(BF4)2 i NaN3 u molarnom odnosu 1:1:4. Kompleks 2 je dobijen pod istim reakcionim uslovima kao i kompleks 1 pri čemu je Zn(II) pentakoordinovan preko NNO seta atoma jednog molekula liganda i dva NCO– liganda. Međutim, reakcijom HLCl sa Zn(BF4)2 i NaN3 u višku (1:1:12) formiran je kompleks 3, opšte formule [ZnL(N3)2]. DFT proračuni su izvedeni da bi se poboljšalo razumevanje struktura kompleksa i potvrdila njihova struktura u rastvoru.
AB  - The condensation of 2-acetyl-6-bromopyridine with Girard's T reagent produced the ligand HLCl (E)-2-(2-(1-(6-bromopyridin-2-yl)ethylidene)hydrazinyl)-N,N,N-trimethyl-2-oxoethan-1-aminium chloride. Complex 1, an octahedral complex containing two molecules of the coordinated ligand, was obtained when the ligand reacted with Zn(BF4)2·6H2O and NaN3 in molar ratio 1:1:4. Complex 2, was obtained under the same reaction conditions as complex 1 where Zn(II) is pentacoordinated via one ligand molecule through NNO set of atoms and two NCO– ligands. However, by reacting HLCl with Zn(BF4)2·6H2O and NaN3 in excess (1:1:12) complex 3 with different composition, [ZnL(N3)2], was formed. Density functional theory (DFT) calculations were performed to enhance our understanding of the structures of the complexes in the solution.
PB  - Belgrade : Serbian Chemical Society
C3  - 60th Meeting of the Serbian Chemical Society, Book of Abstracts, Niš, Serbia, June 8-9, 2024 / 60. Savetovanje Srpskog hemijskog društva, Kratki izvodi radova, 8. i 9. jun 2024. godine
T1  - Synthesis and stability of Zn(II) hydrazone complexes
T1  - Sinteza i stabilnost hidrazonskih kompleksa Zn(II)
UR  - https://hdl.handle.net/21.15107/rcub_cer_7678
ER  - 

@conference{
author = "Čobeljić, Božidar and Savić, Milica and Zlatar, Matija and Gruden, Maja",
year = "2024",
abstract = "Kondenzacionom reakcijom 2-acetil-6-brompiridina sa Žirarovim T reagensom dobijen je ligand HLCl (E)-2-(2-(1-(6-brompiridin-2-il)etiliden)hidrazinil)-N,N,N- trimetil-2-oksoetan-1-aminijum hlorid. Oktaedarski kompleks 1, opšte formule [ZnL2](BF4)2 koji sadrži dva koordinovana liganda, dobijen je u reakciji liganda sa Zn(BF4)2 i NaN3 u molarnom odnosu 1:1:4. Kompleks 2 je dobijen pod istim reakcionim uslovima kao i kompleks 1 pri čemu je Zn(II) pentakoordinovan preko NNO seta atoma jednog molekula liganda i dva NCO– liganda. Međutim, reakcijom HLCl sa Zn(BF4)2 i NaN3 u višku (1:1:12) formiran je kompleks 3, opšte formule [ZnL(N3)2]. DFT proračuni su izvedeni da bi se poboljšalo razumevanje struktura kompleksa i potvrdila njihova struktura u rastvoru., The condensation of 2-acetyl-6-bromopyridine with Girard's T reagent produced the ligand HLCl (E)-2-(2-(1-(6-bromopyridin-2-yl)ethylidene)hydrazinyl)-N,N,N-trimethyl-2-oxoethan-1-aminium chloride. Complex 1, an octahedral complex containing two molecules of the coordinated ligand, was obtained when the ligand reacted with Zn(BF4)2·6H2O and NaN3 in molar ratio 1:1:4. Complex 2, was obtained under the same reaction conditions as complex 1 where Zn(II) is pentacoordinated via one ligand molecule through NNO set of atoms and two NCO– ligands. However, by reacting HLCl with Zn(BF4)2·6H2O and NaN3 in excess (1:1:12) complex 3 with different composition, [ZnL(N3)2], was formed. Density functional theory (DFT) calculations were performed to enhance our understanding of the structures of the complexes in the solution.",
publisher = "Belgrade : Serbian Chemical Society",
journal = "60th Meeting of the Serbian Chemical Society, Book of Abstracts, Niš, Serbia, June 8-9, 2024 / 60. Savetovanje Srpskog hemijskog društva, Kratki izvodi radova, 8. i 9. jun 2024. godine",
title = "Synthesis and stability of Zn(II) hydrazone complexes, Sinteza i stabilnost hidrazonskih kompleksa Zn(II)",
url = "https://hdl.handle.net/21.15107/rcub_cer_7678"
}

Čobeljić, B., Savić, M., Zlatar, M.,& Gruden, M.. (2024). Synthesis and stability of Zn(II) hydrazone complexes. in 60th Meeting of the Serbian Chemical Society, Book of Abstracts, Niš, Serbia, June 8-9, 2024 / 60. Savetovanje Srpskog hemijskog društva, Kratki izvodi radova, 8. i 9. jun 2024. godine
Belgrade : Serbian Chemical Society..
https://hdl.handle.net/21.15107/rcub_cer_7678

Čobeljić B, Savić M, Zlatar M, Gruden M. Synthesis and stability of Zn(II) hydrazone complexes. in 60th Meeting of the Serbian Chemical Society, Book of Abstracts, Niš, Serbia, June 8-9, 2024 / 60. Savetovanje Srpskog hemijskog društva, Kratki izvodi radova, 8. i 9. jun 2024. godine. 2024;.
https://hdl.handle.net/21.15107/rcub_cer_7678 .

Čobeljić, Božidar, Savić, Milica, Zlatar, Matija, Gruden, Maja, "Synthesis and stability of Zn(II) hydrazone complexes" in 60th Meeting of the Serbian Chemical Society, Book of Abstracts, Niš, Serbia, June 8-9, 2024 / 60. Savetovanje Srpskog hemijskog društva, Kratki izvodi radova, 8. i 9. jun 2024. godine (2024),
https://hdl.handle.net/21.15107/rcub_cer_7678 .

TY  - CONF
AU  - Zlatar, Matija
AU  - Gruden, Maja
PY  - 2024
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7671
AB  - This talk will present our efforts to understand and control metal-ligand bonding based on density functional calculations, including Energy Decomposition Analysis and the Quantum Theory of Atoms in Molecules. The talk will focus on the intricacies of interactions involving weakly coordinated anions such as BF4−, NO3− and ClO4−. These anions are often considered as counterions and only spectators. We will try to answer these questions: Do they interact directly with the metal ion? When do they interact? Is the traditional geometric interpretation sufficient 
to address these issues? We will show how seemingly inert anions can influence the electronic structure and stability of transition metal complexes.
PB  - Belgrade : Serbian Chemical Society
PB  - University of Belgrade - Faculty of Chemistry
C3  - Book of abstracts - 3rd International Conferences on Noncovalent Interactions (ICNI2024)
T1  - Elucidating the nature of weak coordination bonds in transition metal complexes: A computational chemistry perspective
SP  - IL21
UR  - https://hdl.handle.net/21.15107/rcub_cer_7671
ER  - 

@conference{
author = "Zlatar, Matija and Gruden, Maja",
year = "2024",
abstract = "This talk will present our efforts to understand and control metal-ligand bonding based on density functional calculations, including Energy Decomposition Analysis and the Quantum Theory of Atoms in Molecules. The talk will focus on the intricacies of interactions involving weakly coordinated anions such as BF4−, NO3− and ClO4−. These anions are often considered as counterions and only spectators. We will try to answer these questions: Do they interact directly with the metal ion? When do they interact? Is the traditional geometric interpretation sufficient 
to address these issues? We will show how seemingly inert anions can influence the electronic structure and stability of transition metal complexes.",
publisher = "Belgrade : Serbian Chemical Society, University of Belgrade - Faculty of Chemistry",
journal = "Book of abstracts - 3rd International Conferences on Noncovalent Interactions (ICNI2024)",
title = "Elucidating the nature of weak coordination bonds in transition metal complexes: A computational chemistry perspective",
pages = "IL21",
url = "https://hdl.handle.net/21.15107/rcub_cer_7671"
}

Zlatar, M.,& Gruden, M.. (2024). Elucidating the nature of weak coordination bonds in transition metal complexes: A computational chemistry perspective. in Book of abstracts - 3rd International Conferences on Noncovalent Interactions (ICNI2024)
Belgrade : Serbian Chemical Society., IL21.
https://hdl.handle.net/21.15107/rcub_cer_7671

Zlatar M, Gruden M. Elucidating the nature of weak coordination bonds in transition metal complexes: A computational chemistry perspective. in Book of abstracts - 3rd International Conferences on Noncovalent Interactions (ICNI2024). 2024;:IL21.
https://hdl.handle.net/21.15107/rcub_cer_7671 .

Zlatar, Matija, Gruden, Maja, "Elucidating the nature of weak coordination bonds in transition metal complexes: A computational chemistry perspective" in Book of abstracts - 3rd International Conferences on Noncovalent Interactions (ICNI2024) (2024):IL21,
https://hdl.handle.net/21.15107/rcub_cer_7671 .

TY  - JOUR
AU  - Trmčić, Milena
AU  - Vulović, Bojan
AU  - Zlatar, Matija
AU  - Saičić, Radomir N.
PY  - 2024
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7041
AB  - Hemiacetals of cyclopropanone can be isolated and stocked, contrary to their highly reactive parent ketone.  However, they are not readily converted to cyclopropanone, which limits their use as its synthetic equivalents.  2,2,2-trifluoroethoxy hemiacetals are expected to be better cyclopropanone surrogates, however, they have  never been prepared, so far. We show that oxyallyl cations with a heteroatom in the -position can be  intercepted with 2,2,2-trifluoroethanol, with formation of cyclopropanone trifluoroethoxy hemiacetals stable  enough to be isolated, purified and characterized. These species can serve as synthetic equivalents of  cyclopropanone under mild conditions.
PB  - ARKAT USA, Inc.
T2  - ARKIVOC - Online Journal of Organic Chemistry
T1  - Preparation of cyclopropanone 2,2,2-trifluoroethoxy hemiacetals via oxyallyl cation
VL  - 2024
IS  - 2
DO  - 10.24820/ark.5550190.p012.123
ER  - 

@article{
author = "Trmčić, Milena and Vulović, Bojan and Zlatar, Matija and Saičić, Radomir N.",
year = "2024",
abstract = "Hemiacetals of cyclopropanone can be isolated and stocked, contrary to their highly reactive parent ketone.  However, they are not readily converted to cyclopropanone, which limits their use as its synthetic equivalents.  2,2,2-trifluoroethoxy hemiacetals are expected to be better cyclopropanone surrogates, however, they have  never been prepared, so far. We show that oxyallyl cations with a heteroatom in the -position can be  intercepted with 2,2,2-trifluoroethanol, with formation of cyclopropanone trifluoroethoxy hemiacetals stable  enough to be isolated, purified and characterized. These species can serve as synthetic equivalents of  cyclopropanone under mild conditions.",
publisher = "ARKAT USA, Inc.",
journal = "ARKIVOC - Online Journal of Organic Chemistry",
title = "Preparation of cyclopropanone 2,2,2-trifluoroethoxy hemiacetals via oxyallyl cation",
volume = "2024",
number = "2",
doi = "10.24820/ark.5550190.p012.123"
}

Trmčić, M., Vulović, B., Zlatar, M.,& Saičić, R. N.. (2024). Preparation of cyclopropanone 2,2,2-trifluoroethoxy hemiacetals via oxyallyl cation. in ARKIVOC - Online Journal of Organic Chemistry
ARKAT USA, Inc.., 2024(2).
https://doi.org/10.24820/ark.5550190.p012.123

Trmčić M, Vulović B, Zlatar M, Saičić RN. Preparation of cyclopropanone 2,2,2-trifluoroethoxy hemiacetals via oxyallyl cation. in ARKIVOC - Online Journal of Organic Chemistry. 2024;2024(2).
doi:10.24820/ark.5550190.p012.123 .

Trmčić, Milena, Vulović, Bojan, Zlatar, Matija, Saičić, Radomir N., "Preparation of cyclopropanone 2,2,2-trifluoroethoxy hemiacetals via oxyallyl cation" in ARKIVOC - Online Journal of Organic Chemistry, 2024, no. 2 (2024),
https://doi.org/10.24820/ark.5550190.p012.123 . .

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
UR  - https://hdl.handle.net/21.15107/rcub_cer_7557
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",
url = "https://hdl.handle.net/21.15107/rcub_cer_7557"
}

Zlatar, M.. (2024). Putovanje kroz koordinacionu hemiju - razumevanje metal-ligand veza. .
https://hdl.handle.net/21.15107/rcub_cer_7557

Zlatar M. Putovanje kroz koordinacionu hemiju - razumevanje metal-ligand veza. 2024;.
https://hdl.handle.net/21.15107/rcub_cer_7557 .

Zlatar, Matija, "Putovanje kroz koordinacionu hemiju - razumevanje metal-ligand veza" (2024),
https://hdl.handle.net/21.15107/rcub_cer_7557 .

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
UR  - https://hdl.handle.net/21.15107/rcub_cer_7555
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",
url = "https://hdl.handle.net/21.15107/rcub_cer_7555"
}

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.
https://hdl.handle.net/21.15107/rcub_cer_7555

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.
https://hdl.handle.net/21.15107/rcub_cer_7555 .

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,
https://hdl.handle.net/21.15107/rcub_cer_7555 .

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 . .

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 . .

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 . .

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 .

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 .

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 . .

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 .

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 .

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 .

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 .

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 . .

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 . .

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 . .

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 . .

TY  - DATA
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
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/7529
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.
AB  - 1.	Experimental section.
2.	Single crystal X-ray diffraction study.
3.	Computational details.
4.	Additional details
PB  - Elsevier
T2  - Inorganic Chemistry Communications
T1  - Supporting Information for: "Nickel(II) and nickel(III) Thiosemicarbazone and Hydrazone Complexes: An Unexpected Journey"
UR  - https://hdl.handle.net/21.15107/rcub_cer_7529
ER  - 

@misc{
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., 1.	Experimental section.
2.	Single crystal X-ray diffraction study.
3.	Computational details.
4.	Additional details",
publisher = "Elsevier",
journal = "Inorganic Chemistry Communications",
title = "Supporting Information for: "Nickel(II) and nickel(III) Thiosemicarbazone and Hydrazone Complexes: An Unexpected Journey"",
url = "https://hdl.handle.net/21.15107/rcub_cer_7529"
}

Jevtović, M., Pevec, A., Turel, I., Radanović, D., Milčić, M., Gruden, M., Zlatar, M., Mitić, D., Anđelković, K.,& Čobeljić, B.. (2023). Supporting Information for: "Nickel(II) and nickel(III) Thiosemicarbazone and Hydrazone Complexes: An Unexpected Journey". in Inorganic Chemistry Communications
Elsevier..
https://hdl.handle.net/21.15107/rcub_cer_7529

Jevtović M, Pevec A, Turel I, Radanović D, Milčić M, Gruden M, Zlatar M, Mitić D, Anđelković K, Čobeljić B. Supporting Information for: "Nickel(II) and nickel(III) Thiosemicarbazone and Hydrazone Complexes: An Unexpected Journey". in Inorganic Chemistry Communications. 2023;.
https://hdl.handle.net/21.15107/rcub_cer_7529 .

Jevtović, Mima, Pevec, Andrej, Turel, Iztok, Radanović, Dušanka, Milčić, Miloš, Gruden, Maja, Zlatar, Matija, Mitić, Dragana, Anđelković, Katarina, Čobeljić, Božidar, "Supporting Information for: "Nickel(II) and nickel(III) Thiosemicarbazone and Hydrazone Complexes: An Unexpected Journey"" in Inorganic Chemistry Communications (2023),
https://hdl.handle.net/21.15107/rcub_cer_7529 .

TY  - DATA
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/123456789/7530
AB  - Crystal data for complex 1.
PB  - Elsevier
T2  - Inorganic Chemistry Communications
T1  - Complex 1 - Experimental Crystal Structure Determination. Crystallographic data for: "Nickel(II) and nickel(III) Thiosemicarbazone and Hydrazone Complexes: An Unexpected Journey"
UR  - https://hdl.handle.net/21.15107/rcub_cer_7530
ER  - 

@misc{
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 = "Crystal data for complex 1.",
publisher = "Elsevier",
journal = "Inorganic Chemistry Communications",
title = "Complex 1 - Experimental Crystal Structure Determination. Crystallographic data for: "Nickel(II) and nickel(III) Thiosemicarbazone and Hydrazone Complexes: An Unexpected Journey"",
url = "https://hdl.handle.net/21.15107/rcub_cer_7530"
}

Jevtović, M., Pevec, A., Turel, I., Radanović, D., Milčić, M., Gruden, M., Zlatar, M., Mitić, D., Anđelković, K.,& Čobeljić, B.. (2023). Complex 1 - Experimental Crystal Structure Determination. Crystallographic data for: "Nickel(II) and nickel(III) Thiosemicarbazone and Hydrazone Complexes: An Unexpected Journey". in Inorganic Chemistry Communications
Elsevier..
https://hdl.handle.net/21.15107/rcub_cer_7530

Jevtović M, Pevec A, Turel I, Radanović D, Milčić M, Gruden M, Zlatar M, Mitić D, Anđelković K, Čobeljić B. Complex 1 - Experimental Crystal Structure Determination. Crystallographic data for: "Nickel(II) and nickel(III) Thiosemicarbazone and Hydrazone Complexes: An Unexpected Journey". in Inorganic Chemistry Communications. 2023;.
https://hdl.handle.net/21.15107/rcub_cer_7530 .

Jevtović, Mima, Pevec, Andrej, Turel, Iztok, Radanović, Dušanka, Milčić, Miloš, Gruden, Maja, Zlatar, Matija, Mitić, Dragana, Anđelković, Katarina, Čobeljić, Božidar, "Complex 1 - Experimental Crystal Structure Determination. Crystallographic data for: "Nickel(II) and nickel(III) Thiosemicarbazone and Hydrazone Complexes: An Unexpected Journey"" in Inorganic Chemistry Communications (2023),
https://hdl.handle.net/21.15107/rcub_cer_7530 .