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Coordination preferences of Shiff base ligands with transition metals: DFT study
(Society of Biological Inorganic Chemistry, 2022)
To rationalize coordination preferences of the ligands to form mono- or binuclear complexes and coordinate differently, together with the electronic structure of transition metal ions, we performed Density Functional Theory ...
Modeling metal-ligand bonds – from ground to excited states
(Frankfurt, Germany : MBN Research Center gGmbH, 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 ...
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 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 ...
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.
Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes / Ispitivanje koordinacionih sposobnosti NNO i NNS Šifovih baza kao liganada u kompleksima Co(III)
(Belgrade : Serbian Chemical Society, 2022)
Two Co(III) complexes [Co(L1)2]BF4·H2O (1) and [Co(L2)(N3)3] (2) with condensation product of thiosemicarbazide and 2-acetylthiazole (HL1) and the condensation product of 2-acetylpyridine and Girard’s P reagent (HL2Cl) ...
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 ...