(alpha-Diimine)tricarbonylhalorhenium complexes: the oxidation side

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F12%3A00375976" target="_blank" >RIV/61388955:_____/12:00375976 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1039/c1dt11449b" target="_blank" >http://dx.doi.org/10.1039/c1dt11449b</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1039/c1dt11449b" target="_blank" >10.1039/c1dt11449b</a>

Result language
angličtina
Original language name
(alpha-Diimine)tricarbonylhalorhenium complexes: the oxidation side
Original language description
The electrochemical behaviour of the complexes [Re(CO)(3)X(alpha-diimine)], X = Cl or Br, alpha-diimine = 1,4-di-tert-butyl-1,4-diaza-1,3-diene, was reinvestigated using cyclic voltammetry accompanied by IR and UV-vis spectroelectrochemistry. While the reduction results in the loss of halide, as necessary for the electrocatalytic activity of related diimine compounds, a reversible oxidation could be observed for the chloro complex 1 (X = Cl). The conversion of 1 to 1(+) in CH2Cl2 or CH3CN is accompaniedby high-frequency shifts (Delta v = 73-114 cm (1)) of the three carbonyl stretching bands, by a considerable change in carbonyl stretching modes, and by changed absorption in the visible region. DFT calculations support the spectroelectrochemical results and suggest an unusually large g anisotropy (g(1) 1.38, g(2) 2.06, g(3) 3.20) which explains the absence of detectable EPR signals for 1(+) under normal X band conditions. Frontier orbitals calculated by DFT for 1 reveal two close lying
Czech name
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Czech description
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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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Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year
2012
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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