Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes : synthesis, characterization and DFT calculation

Darmanović, Darinka (avtor), Radanović, Dušanka (avtor), Jevtović, Mima (avtor), Turel, Iztok (avtor), Pevec, Andrej (avtor), Milčić, Miloš (avtor), Gruden-Pavlović, Maja (avtor), Zlatar, Matija (avtor), Djordjevic, Natasa (avtor), Anđelković, Katarina (avtor), Čobeljić, Božidar R. (avtor)

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.

• Jezik: Angleški jezik
• Ključne besede: hydrazone, Co(III), X-ray crystallography, computational calculations
• Vrsta gradiva: Članek v reviji
• Tipologija: 1.01 - Izvirni znanstveni članek
• Organizacija: FKKT - Fakulteta za kemijo in kemijsko tehnologijo
• Status publikacije: Objavljeno
• Različica publikacije: Recenzirani rokopis
• Datum objave: 12.06.2022
• Leto izida: 2022
• Št. strani: 9 str.
• Številčenje: Vol. 1266, art. 133509
• PID: 20.500.12556/RUL-137612
• UDK: 546.733
• ISSN pri članku: 0022-2860
• DOI: 10.1016/j.molstruc.2022.133509
• COBISS.SI-ID: 112283651
• Datum objave v RUL: 23.06.2022

Gradivo je del revije

• Naslov: Journal of molecular structure
• Skrajšan naslov: J. mol. struct.
• Založnik: Elsevier
• ISSN: 0022-2860
• COBISS.SI-ID: 990223

Licence

• Licenca: CC BY-NC 4.0, Creative Commons Priznanje avtorstva-Nekomercialno 4.0 Mednarodna
• Povezava: http://creativecommons.org/licenses/by-nc/4.0/deed.sl
• Opis: Licenca Creative Commons, ki prepoveduje komercialno uporabo, vendar uporabniki ne rabijo upravljati materialnih avtorskih pravic na izpeljanih delih z enako licenco.
• Začetek licenciranja: 15.10.2022

Sekundarni jezik

• Jezik: Slovenski jezik
• Ključne besede: koordinacijske spojine, kobaltovi(III) kompleksi, ligandi, hidrazoni, rentgenska kristalografija, računalniški izračuni