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Oxidation State Analysis of a Four-Component Redox Series [Os(pap)2(Q)]n Involving Two Different Non-Innocent Ligands on a Redox-Active Transition Metal
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SYSNO ASEP 0363080 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Oxidation State Analysis of a Four-Component Redox Series [Os(pap)2(Q)]n Involving Two Different Non-Innocent Ligands on a Redox-Active Transition Metal Author(s) Das, D. (IN)
Sarkar, B. (DE)
Mondal, T. K. (IN)
Mobin, S. M. (IN)
Fiedler, Jan (UFCH-W) RID, ORCID
Kaim, W. (DE)
Lahiri, G. K. (IN)Source Title Inorganic Chemistry. - : American Chemical Society - ISSN 0020-1669
Roč. 50, č. 15 (2011), s. 7090-7098Number of pages 9 s. Language eng - English Country US - United States Keywords oxidation state analysis ; [Os(pap)2(Q)]n ; redox-active transition metal Subject RIV CF - Physical ; Theoretical Chemistry R&D Projects GA203/09/0705 GA ČR - Czech Science Foundation (CSF) LD11086 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) CEZ AV0Z40400503 - UFCH-W (2005-2011) UT WOS 000293036000033 DOI 10.1021/ic200615s Annotation Complexes [Os(pap)2(Q)] (1–4) have been obtained and structurally characterized for pap = 2-phenylazopyridine and Q = 4,6-di-tert-butyl-N-aryl-o-iminobenzoquinone (aryl = phenyl (1), 3,5-dichlorophenyl (2), 3,5-dimethoxyphenyl (3), or 3,5-di-tert-butylphenyl (4)). The oxidized form (3)(ClO4)2 was also crystallographically characterized while the odd-electron intermediates [Os(pap)2(Q)]+ (1+–4+) and [Os(pap)2(Q)]− (2–) were investigated by electron paramagnetic resonance (EPR) and UV–vis–NIR spectroelectrochemistry in conjunction with density functional theory (DFT) spin density and time-dependent DFT (TD-DFT) calculations. The results from the structural, spectroscopic, and electrochemical experiments and from the computational studies allow for the assignments [OsII(pap0)2(Q0)]2+, [OsII(pap0)2(Q•–)]+, [OsIV(pap•–)2(Q2–)], and [OsII(pap•–)(pap0)(Q2–)]−, with comproportionation constants Kc ≈ 103.5, 1010, 1018, and 105, respectively. Workplace J. Heyrovsky Institute of Physical Chemistry Contact Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196 Year of Publishing 2012
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