NDLI: Co(iii) complexes of (1,3-selenazol-2-yl)hydrazones and their sulphur analogues

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Dalton Transactions Vol - 46 Issue - 8

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Co(iii) complexes of (1,3-selenazol-2-yl)hydrazones and their sulphur analogues

Content Provider	Royal Society of Chemistry (RSC)
Author	Novaković, Irena Šojić, Nešo Jovanović, Ljiljana S. Malešević, Aleksandar Elshaflu, Hana Todorović, Tamara R. Marinković, Aleksandar Rodić, Marko Li, Haidong Grubišić, Sonja Filipović, Nenad R. Djordjević, Ivana S.
Copyright Year	2017
Abstract	The first Co(III) complexes with (1,3-selenazol-2-yl)hydrazones as an unexplored class of ligands were prepared and characterized by NMR spectroscopy and X-ray diffraction analysis. The novel ligands act as NNN tridentate chelators forming octahedral Co(III) complexes. The impact of structural changes on ligands’ periphery as well as that of isosteric replacement of sulphur with selenium on the electrochemical and electronic absorption features of complexes are explored. To support the experimental data, density functional theory (DFT) calculations were also conducted. Theoretical NMR chemical shifts, the relative energies and natural bond orbital (NBO) analysis are calculated within the DFT approach, while the singlet excited state energies and HOMO–LUMO energy gap were calculated with time-dependent density functional theory (TD-DFT). The electrophilic f− and nucleophilic f+ Fukui functions are well adapted to find the electrophile and nucleophile centres in the molecules. Both (1,3-selenazol-2-yl)- and (1,3-thiazol-2-yl)hydrazone Co(III) complexes showed potent antimicrobial and antioxidant activity. A significant difference among them was a smaller cytotoxicity of selenium compounds.
Starting Page	2910
Ending Page	2924
Page Count	15
File Format	HTM / HTML PDF
ISSN	14779226
Volume Number	46
Issue Number	9
Journal	Dalton Transactions
DOI	10.1039/c6dt04785h
Language	English
Publisher	Royal Society of Chemistry
Access Restriction	Open
Subject Keyword	NBO Nuclear magnetic resonance spectroscopy X-ray crystallography Nucleophile Selenium Electrochemistry Density functional theory Nuclear magnetic resonance Natural bond orbital Time-dependent density functional theory Electrophile Hydrazone Antimicrobial Antioxidant Cytotoxicity
Content Type	Text
Resource Type	Article
Subject	Inorganic Chemistry

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