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An Iminosemiquinone-Coordinated Oxidovanadium(V) Complex: A Combined Experimental and Computational Study
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SYSNO ASEP 0477567 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title An Iminosemiquinone-Coordinated Oxidovanadium(V) Complex: A Combined Experimental and Computational Study Author(s) Sarkar, P. (IN)
Mondal, M. K. (IN)
Sarmah, Amrit (UOCHB-X) ORCID
Maity, S. (IN)
Mukherjee, C. (IN)Source Title Inorganic Chemistry. - : American Chemical Society - ISSN 0020-1669
Roč. 56, č. 14 (2017), s. 8068-8077Number of pages 10 s. Language eng - English Country US - United States Keywords transition metal complexes ; induced electron transfer ; non-innocent ligands Subject RIV CA - Inorganic Chemistry OECD category Inorganic and nuclear chemistry Institutional support UOCHB-X - RVO:61388963 UT WOS 000405972200051 EID SCOPUS 85024369895 DOI 10.1021/acs.inorgchem.7b00789 Annotation Ligand H(4)Sar((AP/AP)) contained two terminal amidophenolate units that were connected by a disulfane bridge. The ligand reacted with VOSO4 center dot 5H(2)O in the presence of Et3N under air and provided a mononuclear octahedral oxidovanadium complex (1). X-ray crystal structure analysis of complex 1 revealed that the oxidation state of the V ion was V and the VO3+ unit was coordinated to an iminosemiquinone radical anion. An isotopic signal at g = 1.998 in the X-band electron paramagnetic resonance (EPR) spectrum and the solution magnetic moment mu(eff) = 1.98 mu(B) at 298 K also supported the composition. The formation of complex 1 preceded through the initial generation of a diamagnetic VO2+-iminoisemiquinone species, as established by time-dependent UV-vis-near-IR (NIR), X-band EPR, and density functional theory studies. The UV-vis-NIR spectrum of complex 1 consisted of four ligand-to-metal charge-transfer transitions in the visible region, while an intervalence ligand-to-ligand charge transfer appeared at 1162 rim. The cyclic voltammogram of the complex showed four oxidation waves and one reduction wave. Spectroelectrochemical studies at fixed potentials revealed that the oxidation and reduction processes were ligand-based. Workplace Institute of Organic Chemistry and Biochemistry Contact asep@uochb.cas.cz ; Kateřina Šperková, Tel.: 232 002 584 ; Viktorie Chládková, Tel.: 232 002 434 Year of Publishing 2018
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