About: 2,5-dioxido-1,4-benzoquinonediimine (H2L2-), a hydrogen-bonding noninnocent bridging ligand related to aminated topaquinone: Different oxidation state distributions in complexes [{(bpy)2Ru}2(mu-H2L)]n and [{(acac)2Ru}2(mu-H2L)]m

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About: 2,5-dioxido-1,4-benzoquinonediimine (H2L2-), a hydrogen-bonding noninnocent bridging ligand related to aminated topaquinone: Different oxidation state distributions in complexes [{(bpy)2Ru}2(mu-H2L)]n and [{(acac)2Ru}2(mu-H2L)]m Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Souměrné dvojjaderné titulní sloučeniny byly izolovány jako diamagnetický [(bpy)2Ru(mu-H2L)Ru(bpy)2](ClO4)2, (1)(ClO4)2, a jako paramagnetický [(acac)2Ru(mu-H2L)Ru(acac)2], 2 (bpy = 2,2'-bipyridine; acac- = acetylacetonate = 2,4-pentanedionato) a charakterizovány strukturálně. Antiferromagnetické spojení dvou rutheniových(III) center v 2 bylo zjištěno s použitím SQUID susceptometrie a EPR spektroskopie. Optimalizace geometrie s použitím DFT byla uskutečněna pro 12+ a 2 v jejich singletovém a tripletovém základním stavu. Povaha nízkoenergetických elektronových přechodů byla prozkoumána s využitím časově závislé DFT metody. Pět redox stavů bylo reversibilně dostupných pro každý z komplexů; všechny intermediáty s lichým elektronem vykazují komproporcionační konstanty Kc > 108. UV/VIS/NIR spektroelektrochemie a EPR spektroskopie elektrogenerovaných paramagnetických intermediátů byla využita pro ozřejmění distribuce oxidačních stavů. (cs) The symmetrically dinuclear title compounds were isolated as diamagnetic [(bpy)2Ru(mu-H2L)Ru(bpy)2](ClO4)2, (1)(ClO4)2, and as paramagnetic [(acac)2Ru(mu-H2L)Ru(acac)2], 2 (bpy = 2,2'-bipyridine; acac- = acetylacetonate = 2,4–pentanedionato) and characterized structurally. Antiferromagnetic coupling of the two ruthenium(III) centers in 2 was established using SQUID susceptometry and EPR spectroscopy. Geometry optimization using DFT was carried out for 12+ and 2 in their singlet and triplet ground states, respectively. The nature of low-energy electronic transitions was explored using time dependent DFT methods. Five redox states were reversibly accessible for each of the complexes; all odd electron intermediates exhibit comproportionation constants Kc > 108. UV/Vis/NIR spectroelectrochemistry and EPR spectroscopy of the electrogenerated paramagnetic intermediates were used to ascertain the oxidation state distribution. The symmetrically dinuclear title compounds were isolated as diamagnetic [(bpy)2Ru(mu-H2L)Ru(bpy)2](ClO4)2, (1)(ClO4)2, and as paramagnetic [(acac)2Ru(mu-H2L)Ru(acac)2], 2 (bpy = 2,2'-bipyridine; acac- = acetylacetonate = 2,4–pentanedionato) and characterized structurally. Antiferromagnetic coupling of the two ruthenium(III) centers in 2 was established using SQUID susceptometry and EPR spectroscopy. Geometry optimization using DFT was carried out for 12+ and 2 in their singlet and triplet ground states, respectively. The nature of low-energy electronic transitions was explored using time dependent DFT methods. Five redox states were reversibly accessible for each of the complexes; all odd electron intermediates exhibit comproportionation constants Kc > 108. UV/Vis/NIR spectroelectrochemistry and EPR spectroscopy of the electrogenerated paramagnetic intermediates were used to ascertain the oxidation state distribution. (en)
Title	2,5-dioxido-1,4-benzoquinonediimine (H2L2-), a hydrogen-bonding noninnocent bridging ligand related to aminated topaquinone: Different oxidation state distributions in complexes [{(bpy)2Ru}2(mu-H2L)]n and [{(acac)2Ru}2(mu-H2L)]m 2,5-dioxido-1,4-benzoquinonediimine (H2L2-), a hydrogen-bonding noninnocent bridging ligand related to aminated topaquinone: Different oxidation state distributions in complexes [{(bpy)2Ru}2(mu-H2L)]n and [{(acac)2Ru}2(mu-H2L)]m (en) 2,5-Dioxido-1,4-benzochinondiimin (H2L2-), můstkový, vodíkovou vazbu tvořící non-innocent ligand příbuzný s aminovaným topachinonem: odlišné rozložení oxidačních stavů v komplexech [{(bpy)2Ru}2(mu-H2L)]n a [{(acac)2Ru}2(mu-H2L)]m (cs)
skos:prefLabel	2,5-dioxido-1,4-benzoquinonediimine (H2L2-), a hydrogen-bonding noninnocent bridging ligand related to aminated topaquinone: Different oxidation state distributions in complexes [{(bpy)2Ru}2(mu-H2L)]n and [{(acac)2Ru}2(mu-H2L)]m 2,5-dioxido-1,4-benzoquinonediimine (H2L2-), a hydrogen-bonding noninnocent bridging ligand related to aminated topaquinone: Different oxidation state distributions in complexes [{(bpy)2Ru}2(mu-H2L)]n and [{(acac)2Ru}2(mu-H2L)]m (en) 2,5-Dioxido-1,4-benzochinondiimin (H2L2-), můstkový, vodíkovou vazbu tvořící non-innocent ligand příbuzný s aminovaným topachinonem: odlišné rozložení oxidačních stavů v komplexech [{(bpy)2Ru}2(mu-H2L)]n a [{(acac)2Ru}2(mu-H2L)]m (cs)
skos:notation	RIV/61388955:_____/05:00022087!RIV06-AV0-61388955
http://linked.open.../vavai/riv/strany	4901;4911
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA203/03/0821), P(LC510), Z(AV0Z40400503)
http://linked.open...iv/cisloPeriodika	17
http://linked.open...vai/riv/dodaniDat	2006
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	552698
http://linked.open...ai/riv/idVysledku	RIV/61388955:_____/05:00022087
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	bringing ligands; density functional calculations; EPR spectroscopy; N, O ligands (en)
http://linked.open.../riv/klicoveSlovo	N EPR spectroscopy density functional calculations bringing ligands O ligands
http://linked.open...odStatuVydavatele	DE - Spolková republika Německo
http://linked.open...ontrolniKodProRIV	[B3A4F02B9A45]
http://linked.open...i/riv/nazevZdroje	Chemistry European Journal
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	10 (xsd:int)
http://linked.open...vavai/riv/projekt	Center of nanotechnology and materials for nanoelectronics Electron transfer to new supramolecular complexes, large molecules with multiple active centers and ordered structures
http://linked.open...UplatneniVysledku	2005
http://linked.open...v/svazekPeriodika	11
http://linked.open...iv/tvurceVysledku	Fiedler, Jan Kaim, W. Lahiri, G. K. Sarkar, B. Kar, S. Puranik, V. G. van Slageren, J. Janardanan, D. Sunoj, R. B. Ghumaan, S.
http://linked.open...n/vavai/riv/zamer	Struktura, reaktivita a dynamika molekulárních a biomolekulárních systémů: teorie, experiment, aplikace
issn	0947-6539
number of pages	11 (xsd:int)
is http://linked.open...avai/riv/vysledek of	2,5-dioxido-1,4-benzoquinonediimine (H2L2-), a hydrogen-bonding noninnocent bridging ligand related to aminated topaquinone: Different oxidation state distributions in complexes [{(bpy)2Ru}2(mu-H2L)]n and [{(acac)2Ru}2(mu-H2L)]m

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