About: Electron delocalization in mixed-valence butadienediyl-bridged diruthenium complexes

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	V práci jsou shrnuty výsledky elektrochemického a spektroelektrochemického výzkumu pro dirutheniové komplexy s butadienediylovým můstkem [{Ru(PPh3)2(CO)Cl}2(.mu.-C4H4)] (1), [{Ru(PEt3)3(CO)Cl}2(.mu.-C4H4)] (2), a [{Ru(PPh3)2 (CO)Cl(NC5H4COOEt-4)}2(.mu.-C4H4)] (3). Fyzikální vlastnosti těchto komplexů byly interpretovány pomocí kvantově chemických DFT výpočtů. Všechny spektroskopické charakteristiky jako jsou posuny v infračervených spektrech, isotropické g hodnoty a anisotropie g-tensoru v elektronové paramagnetické resonanci byly dobře reprodukovány pomocí výpočtů. (cs) We report electrochemical and spectroelectrochemical investigations on the butadienediyl-bridged diruthenium complexes [{Ru(PPh3)2(CO)Cl}2(.mu.-C4H4)] (1), [{Ru(PEt3)3(CO)Cl}2(.mu.-C4H4)] (2), and [{Ru(PPh3)2 (CO)Cl(NC5H4COOEt-4)}2(.mu.-C4H4)] (3). All these complexes are oxidized in two consecutive one-electron steps separated by 315 to 680 mV, depending on the coligands. The first oxidation is a chemically and electrochemically reversible process whereas the second varies from nearly reversible to irreversible at room temperature. We have generated and investigated the mixed-valence monocations and observed CO band shifts of ca 25 cm-1 and the appearance of new bands in the visible regime at ca 720 to 800 and 430 to 450 nm. We report electrochemical and spectroelectrochemical investigations on the butadienediyl-bridged diruthenium complexes [{Ru(PPh3)2(CO)Cl}2(.mu.-C4H4)] (1), [{Ru(PEt3)3(CO)Cl}2(.mu.-C4H4)] (2), and [{Ru(PPh3)2 (CO)Cl(NC5H4COOEt-4)}2(.mu.-C4H4)] (3). All these complexes are oxidized in two consecutive one-electron steps separated by 315 to 680 mV, depending on the coligands. The first oxidation is a chemically and electrochemically reversible process whereas the second varies from nearly reversible to irreversible at room temperature. We have generated and investigated the mixed-valence monocations and observed CO band shifts of ca 25 cm-1 and the appearance of new bands in the visible regime at ca 720 to 800 and 430 to 450 nm. (en)
Title	Electron delocalization in mixed-valence butadienediyl-bridged diruthenium complexes Electron delocalization in mixed-valence butadienediyl-bridged diruthenium complexes (en) Elektronová delokalizace v dirutheniových komplexech s butadienediylovým můstkem se smíšenou valencí (cs)
skos:prefLabel	Electron delocalization in mixed-valence butadienediyl-bridged diruthenium complexes Electron delocalization in mixed-valence butadienediyl-bridged diruthenium complexes (en) Elektronová delokalizace v dirutheniových komplexech s butadienediylovým můstkem se smíšenou valencí (cs)
skos:notation	RIV/61388955:_____/05:00024789!RIV06-AV0-61388955
http://linked.open.../vavai/riv/strany	738;749
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(1ET400400413), Z(AV0Z40400503)
http://linked.open...iv/cisloPeriodika	11
http://linked.open...vai/riv/dodaniDat	2006
http://linked.open...aciTvurceVysledku	Záliš, Stanislav
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	519978
http://linked.open...ai/riv/idVysledku	RIV/61388955:_____/05:00024789
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	electrochemistry; spectroelectrochemistry; ruthenium; DFT calculations (en)
http://linked.open.../riv/klicoveSlovo	DFT calculations electrochemistry spectroelectrochemistry ruthenium
http://linked.open...odStatuVydavatele	DE - Spolková republika Německo
http://linked.open...ontrolniKodProRIV	[B966FFD20104]
http://linked.open...i/riv/nazevZdroje	Journal of Solid State Electrochemistry
http://linked.open...in/vavai/riv/obor	CG
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	4 (xsd:int)
http://linked.open...vavai/riv/projekt	Development of a program environment for mathematic simulations and predictions in catalysis and electrocatalysis
http://linked.open...UplatneniVysledku	2005
http://linked.open...v/svazekPeriodika	9
http://linked.open...iv/tvurceVysledku	Sarkar, B. Záliš, Stanislav Winter, R. F. Maurer, J.
http://linked.open...n/vavai/riv/zamer	Struktura, reaktivita a dynamika molekulárních a biomolekulárních systémů: teorie, experiment, aplikace
issn	1432-8488
number of pages	12 (xsd:int)

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