About: 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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About: 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 Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	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. 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. (en)
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 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 (en)
skos:prefLabel	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 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 (en)
skos:notation	RIV/61388955:_____/11:00363080!RIV12-GA0-61388955
http://linked.open...avai/predkladatel	Ústav fyzikální chemie J. Heyrovského AV ČR, v.v.i.
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA203/09/0705), P(LD11086), Z(AV0Z40400503)
http://linked.open...iv/cisloPeriodika	15
http://linked.open...vai/riv/dodaniDat	2012
http://linked.open...aciTvurceVysledku	Fiedler, Jan
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Ústav fyzikální chemie J. Heyrovského AV ČR, v.v.i.
http://linked.open...dnocenehoVysledku	219323
http://linked.open...ai/riv/idVysledku	RIV/61388955:_____/11:00363080
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	oxidation state analysis; [Os(pap)2(Q)]n; redox-active transition metal (en)
http://linked.open.../riv/klicoveSlovo	[Os(pap)2(Q)]n oxidation state analysis redox-active transition metal
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[C3D6D3A85E2D]
http://linked.open...i/riv/nazevZdroje	Inorganic Chemistry
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	7 (xsd:int)
http://linked.open...vavai/riv/projekt	Quantum chemical interpretation and prediction of spectral characteristics of heavy transition metal complexes Transfer of charge in single and assembled molecules
http://linked.open...UplatneniVysledku	2011
http://linked.open...v/svazekPeriodika	50
http://linked.open...iv/tvurceVysledku	Das, D. Fiedler, Jan Kaim, W. Lahiri, G. K. Mobin, S. M. Sarkar, B. Mondal, T. K.
http://linked.open...ain/vavai/riv/wos	000293036000033
http://linked.open...n/vavai/riv/zamer	Struktura, reaktivita a dynamika molekulárních a biomolekulárních systémů: teorie, experiment, aplikace
issn	0020-1669
number of pages	9 (xsd:int)
http://bibframe.org/vocab/doi	10.1021/ic200615s
is http://linked.open...avai/riv/vysledek of	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 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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