synthesis, characterization and DFT calculation
Darinka Darmanović (Author), Dušanka Radanović (Author), Mima Jevtović (Author), Iztok Turel (Author), Andrej Pevec (Author), Miloš Milčić (Author), M. Gruden-Pavlović (Author), Matija Zlatar (Author), Natasa Djordjevic (Author), Katarina Anđelković (Author), Božidar R. Čobeljić (Author)

Abstract

Two Co(III) complexes with condensation product of thiosemicarbazide and 2-acetylthiazole (HL1 ligand, (E)-2-(1-(thiazol-2-yl)ethylidene)hydrazine-1-carbothioamide) and the condensation product of 2-acetylpyridine and Girard's P reagent (HL2Cl ligand, (E)-1-(2-oxo-2-(2-(1-(pyridin-2-yl)ethylidene)hydrazinyl)ethyl)pyridin-1-ium chloride) have been synthesized and characterized based on the results of single-crystal X-ray diffraction, NMR and IR spectroscopy and elemental analysis. Cobalt(III) complex with HL1 ligand, [Co(L1)2]BF4⋅H2O (1), is bis octahedral complex in which two deprotonated ligand molecules coordinate in a mer arrangement through two NNS sets of donor atoms. In cobalt(III) complex with HL2Cl, [Co(L2)(N3)3] (2), the ligand is coordinated in deprotonated, formally neutral, form to Co(III) ion in tridentate fashion through NNO set of donor atoms, and the other three coordination sites of a monokis octahedron are occupied by meridionally coordinated azide anions. DFT calculations were performed to elucidate coordination preferences of these ligands toward Co(III) ion.

Keywords

koordinacijske spojine;kobaltovi(III) kompleksi;ligandi;hidrazoni;

Data

Language: English
Year of publishing:
Typology: 1.01 - Original Scientific Article
Organization: UL FKKT - Faculty of Chemistry and Chemical Technology
UDC: 546.733
COBISS: 112283651 Link will open in a new window
ISSN: 0022-2860
Views: 41
Downloads: 10
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Other data

Secondary language: Slovenian
Secondary keywords: koordinacijske spojine;kobaltovi(III) kompleksi;ligandi;hidrazoni;rentgenska kristalografija;računalniški izračuni;
Type (COBISS): Article
Embargo end date (OpenAIRE): 2024-06-12
Pages: str. 1-9
Issue: ǂVol. ǂ1266
Chronology: 15 Oct. 2022
DOI: 10.1016/j.molstruc.2022.133509
ID: 15720993