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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 ...
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 ...
Modeling metal-ligand bonds – from ground to excited states
(TMMagCat project, 2022)
In this talk, our efforts in understanding and controlling metal-ligand bonding will be presented, mainly based on the density functional calculations. The influence of the excited states on the electronic ground state and ...
Synthesis and characterization of octahedral Ni(II) complex with condensation product of 2-acetylthiazole and thiosemicarbazide
(TMMagCat project, 2022)
Poster presented at: 8th Conference of Young Chemists of Serbia, Belgrade, Serbia, 29th October, 2022.
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
Synthesis and characterization of Fe(III) complex with the condensation product of thiosemicarbazide and 2-acetylthiazole / Синтеза и карактеризација комплекса Fe(III) са кондензaционим производом 2-ацетилтиазола и тиосемикарбазида
(Belgrade, Serbia : Serbian Cristallographic Soceity // Beograd, Srbija : Srpsko kristalografsko društvo, 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 ...
Cu(II), Mn(II) and Zn(II) complexes of hydrazones with quaternary ammonium moiety: Synthesis, characterization and DFT calculation / Hidrazonski kompleksi Cu(II), Mn(II) i Zn(II) sa kvaternernim amonijum fragmentom: sinteza, karakterizacija i DFT proračuni
(Belgrade : Serbian Chemical Society, 2022)
The HLCl ligand with metal salts Cu(BF4)2‧6H2O / MnCl2‧4H2O / Zn(BF4)2‧6H2O and NaN3, in methanol form mononuclear penta-coordinated complexes [CuL(N3)(CH3OH)]BF4 (1) and [ZnL(N3)2] (2) and binuclear [Mn2L2(µ-1,1-N3)2(N3)2]⋅2CH3OH ...
Poster presentation: Synthesis and characterization of Mn(II) complex with the condensation product of thiosemicarbazide and 2-acetylthiazole / Постерска презентација: Синтеза и карактеризација комплекса Mn(II) са кондензaционим производом 2-ацетилтиазола и тиосемикарбазида
(TMMagCat Project, 2023)
The reaction of the HL ligand, (E)-2-(1-(thiazol-2-ypethylidene)hydrazine-1 carbothioamide, with the metal salt MnCl2.4H20 in a molar ratio 1:1 in methanol/water mixture results in the formation of bis Mn(II) complex with ...
Synthesis and characterization of Fe(III) and Mn(II) complexes with condensation product of thiosemicarbazide and 2-acetylthiazole
(TMMagCat project, 2022)
Poster presented at: 58th Meeting of the Serbian Chemical Society, Belgrade, Serbia, June 9-10, 2022.
Synthesis and characterization of octahedral Ni(II) complex with condensation product of 2-acetylthiazole and thiosemicarbazide
(Belgrade : Serbian Chemical SocietyBelgrade : Serbian Young Chemists’ Club, 2022)
The ligand (HL) was synthetized by the reaction of 2-acetylthiazole and
thiosemicarbazide in molar ratio 1:1 in water. In the reaction of ligand (HL) and
nickel(II) tetrafluoroborate hexahydrate [Ni(HL)2](BF4)2 complex ...