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Poster presentation: Synthesis and characterization of Fe(III) complex with the condensation product of thiosemicarbazide and 2-acetylthiazole / Постерска презентација: Синтеза и карактеризација комплекса Fe(III) са кондензaционим производом 2-ацетилтиазола и тиосемикарбазида
(TMMagCat Project, 2023)
The HL ligand, (E)-2-(1-(thiazol-2-ypethylidene)hydrazine-1-carbothioamide, was obtained from the condensation reaction of thiosemicarbazide and 2-acetylthiazole in water. The reaction of the ligand HL with Fe(BF4)2.6H20 ...
Poster presentation: Synthesis and characterization of azido Zn(II) complex with the condensation product of 2-acetylpyridine and Girard's P reagent / Постерска презентација: Синтеза и карактеризација азидо комплекса Zn(II) са кондензaционим производом 2-ацетилпиридина и Жираровог П реагенса
(TMMagCat Project, 2023)
In the reaction of HLC1 with Zn(BF4)2.6H20 and NaN3 in molar ratio 1 : 1 : 4 in acetonitrile/water/methanol mixture of solvents, an mononuclear Zn(II) complex (1) was obtained, with composition [ZnL(N3)2]. In complex 1, ...
Poster presentation: "Spin states of Mn(II) and Fe(III) complexes with thiosemicarbazone"
(TMMagCat Project, 2023)
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 ...
Poster presentation: Synthesis and characterization of Mn(II) and Fe(III) complexes with the condensation product of thiosemicarbazide and 2-acetylthiazole
(TMMagCat project, 2023)
Poster presented at The Training School of COST action CA21101 COSY ,,Multiscale modeling of the properties of compounds: From isolated molecules to 3D materials relevant for industrial and
astrophysical application", ...
Quantum chemical insight into excited states of organometallic molecules
(MBN Research Center gGmbH, 2023)
In this talk, we will illustrate how different quantum chemical flavors are used in practice to deal with the excited states of organometallic and coordination compounds. We will show examples of the use of the time-dependent ...
Relativistic DFT calculation and their effect on the accuracy of results
(Kragujevac, Serbia : Institute for Information Technologies, University of Kragujevac, 2023)
This study explores the significance of density functional theory (DFT) calculations with relativistic effects for two ethylenediaminetetraacetate (edta) type complexes: trans(O5)-[M(eddadp)]- (M = Rh3+, Co3+). Relativistic ...
Rational Design of Single-Ion Magnets – Computational Chemistry Approach
(Serbian Ceramic Society, 2023)
In this talk, the computational study of magnetic anisotropy in a series of transition metal complexes will be presented when changing the metal ion or the ligands in a controlled way. We will discuss the influences of ...
Unexpected Ni(III) complex with hydrazone lignad – spin state analysis / Neočekivani Ni(III) komleks sa hidrazonskim ligandom – analiza spinskih stanja
(TMMagCat project, 2023)
During synthesis of Ni(II) complex with (E)−1-(2-oxo-2-(2-(1-(pyridin-2-yl)ethylidene)hydrazinyl)ethyl)pyridin-1-ium ligand (L) unexpected oxidation of Ni(II) to Ni(III) with atmospheric oxygen occurred at mild conditions. ...
Chemical bonding in transition metal complexes - synergy between experiment and theory / Хемијска веза у комплексима прелазних метала - синергија експеримента и теорије
(Belgrade, Serbia : Serbian Cristallographic Soceity // Beograd, Srbija : Srpsko kristalografsko društvo, 2023)
Combining crystal structure determination and computational chemistry emerges as a powerful strategy for understanding the electronic structure of transition metal complexes. In this tallc, our efforts in understanding and ...
Synthesis, characterization and DFT calculations of Schiff base Co(III) complexes
(TMMagCat project, 2022)
Poster presented at: the 23rd YUCOMAT 2022 Conference, Herceg Novi, August 29 - September 2, 2022