Pretraživanje
Prikaz rezultata 11-20 od 42
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 ...
The role of DFT in characterization of coordination compounds: opportunities and challenges
(Viena, Austria : Institute of Applied Synthetic Chemistry, TU WienChemIT e.U., 2023)
In the last two decades, considerable theoretical efforts have been made to develop suitable methods for predicting and rationalizing the complicated electronic structure of TM compounds. However, the matter remains open ...
Spin states of Mn(II) and Fe(III) complexes with thiosemicarbazone
(Viena, Austria : Institute of Applied Synthetic Chemistry, TU WienChemIT e.U., 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 of a New Family of Zn(II) Hydrazone Complexes: Characterisation, Catalytic Activity, and DFT Calculations
(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 аstrophysical applications" , ...
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", ...
Synthesis and characterization of Fe(III) and Mn(II) complexes with condensation product of thiosemicarbazide and 2-acetylthiazole / Sinteza i karakterizacija kompleksa Fe(III) i Mn(II) sa kondenzacionim proizvodom tiosemikarbazida i 2-acetiltiazola
(Belgrade : Serbian Chemical Society, 2022)
The HL ligand was synthesized in the reaction of thiosemicarbazide and 2-acetylthiazole in molar
ratio 1:1 in water, with 3 drops of 2M HCl. Complex [Fe(L)2]BF4·H2O (1) was synthesized in
the reaction of ligand and ...
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: "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, 2023)
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 ...
Synthesis and characterization of octahedral Ni(II) complex with condensation product of 2-acetylpyridine and Girard's P reagent
(Belgrade : Serbian Chemical SocietyBelgrade : Serbian Young Chemists’ Club, 2022)
The ligand ([HL]Cl) was synthetized by the reaction of 2-acetylpyridine and Girard's P reagent in molar ratio 1:1 in ethanol. In the reaction of ligand ([HL]Cl), nickel(II) tetrafluoroborate hexahydrate and sodium azide ...
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, 2023)
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 ...