Spectroelectrochemistry and DFT Analysis of a New {RuNO}n Redox System with Multifrequency EPR Suggesting Conformational Isomerism in the {RuNO}7 State
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F07%3A00093660" target="_blank" >RIV/61388955:_____/07:00093660 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
Spectroelectrochemistry and DFT Analysis of a New {RuNO}n Redox System with Multifrequency EPR Suggesting Conformational Isomerism in the {RuNO}7 State
Original language description
The compound [Ru(NO)(bpym)(terpy)](PF6)3, bpym = 2,2´-bipyrimidine and terpy = 2,2´:6´,2´ ´-terpyridine, with a {RuNO}6 configuration (angle Ru-N-O 175.2(4)) was obtained from the structurally characterized precursor [Ru(NO2)(bpym)(terpy)](PF6), which shows bpym-centered reduction and metal-centered oxidation, as evident from EPR spectroscopy. The relatively labile [Ru(NO)(bpym)(terpy)]3+, which forms a structurally characterized acetonitrile substitution product [Ru(CH3CN)(bpym)(terpy)](PF6)2 upon treatment with CH3OH/CH3CN, is electrochemically reduced in three one-electron steps of which the third, leading to neutral [Ru(NO)(bpym)(terpy)], involves electrode adsorption. The first-two reduction processes cause shifts of (NO) from 1957 via 1665 to 1388 cm-1, implying a predominantly NO-centered electron addition.
Czech name
Spektroelektrochemie a DFT analýza nového (RuNO)n systému společně s multifrekvenční EPR navrhují konformační isomerismus v (RuNO)7 stavu
Czech description
Sloučeniny Ru(NO)(BPYm)(terpy)(PF6)3, (bpym = 2,2´-bipyrimidin a terpy = 1,2´:6´12´´-terpyridin) v (RuNO)6 konfiguraci (úhel Ru-N-O 175.2(4)0) byly získány ze strukturně charakterizovaného prekursoru [Ru(NO2)(bpym)(terpy)](PF6). Výsledky EPR spektroskopie indikují bpym lokalizovanou redukci a oxidaci lokalizovanou na centrálním kovu. Dva první redukční procesy způsobují posun .nu.(NO) frekvencí z 1957 na 1388 cm-1, tento fakt ukazuje na převážně NO lokalizovaný příjem elektronu. DFT výpočty podporují přiřazení oxidačních stavů a interpretaci elektronové struktury.
Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CG - Electrochemistry
OECD FORD branch
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Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2007
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Inorganic Chemistry
ISSN
0020-1669
e-ISSN
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Volume of the periodical
46
Issue of the periodical within the volume
22
Country of publishing house
US - UNITED STATES
Number of pages
9
Pages from-to
7312-7320
UT code for WoS article
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EID of the result in the Scopus database
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