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

Povzetek

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.

Ključne besede

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

Podatki

Jezik: Angleški jezik
Leto izida:
Tipologija: 1.01 - Izvirni znanstveni članek
Organizacija: UL FKKT - Fakulteta za kemijo in kemijsko tehnologijo
UDK: 546.733
COBISS: 112283651 Povezava se bo odprla v novem oknu
ISSN: 0022-2860
Št. ogledov: 41
Št. prenosov: 10
Ocena: 0 (0 glasov)
Metapodatki: JSON JSON-RDF JSON-LD TURTLE N-TRIPLES XML RDFA MICRODATA DC-XML DC-RDF RDF

Ostali podatki

Sekundarni jezik: Slovenski jezik
Sekundarne ključne besede: koordinacijske spojine;kobaltovi(III) kompleksi;ligandi;hidrazoni;rentgenska kristalografija;računalniški izračuni;
Vrsta dela (COBISS): Članek v reviji
Konec prepovedi (OpenAIRE): 2024-06-12
Strani: str. 1-9
Zvezek: ǂVol. ǂ1266
Čas izdaje: 15 Oct. 2022
DOI: 10.1016/j.molstruc.2022.133509
ID: 15720993