Multifrequency EPR Study and Density Functional g-Tensor Calculations of Persistent Organorhenium Radical Complexes.

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F02%3A54020162" target="_blank" >RIV/61388955:_____/02:54020162 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Result language
angličtina
Original language name
Multifrequency EPR Study and Density Functional g-Tensor Calculations of Persistent Organorhenium Radical Complexes.
Original language description
The dinuclear radical anion complexes {(mu-L)[Re(CO)(3)Cl](2)}(.-), L = 2,2''-azobispyridine (abpy) and 2,2''-azobis(5-chloropyrimidine) (abcp), were investigated by EPR at 9.5, 94, 230, and 285 GHz (abpy complex) and at 9.5 and 285 GHz Whereas the X-band measurements yielded only the isotropic metal hyperfine coupling of the Re-185,Re-187 isotopes, the high-frequency EPR experiments in glassy frozen CH2Cl2/toluene solution revealed the g components. Both the a(Re-185,Re-187) value and the g anisotropy,g(1) - g(3), are larger for the abcp complex, which contains the better pi-accepting bridging ligand. Confirmation for this comes also from IR and UV/vis spectroscopy of the new {(mu-abcp)[Re(CO)(3)Cl](2)}(o/.-2/-) redox system. The g values are reproduced reasonably well by density functional calculations which confirm higher metal participation at the singly occupied MO and therefore larger contributions from the metal atoms to the anisotropy systems compared to complexes.
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
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Project
<a href="/en/project/OC%20D15.10" target="_blank" >OC D15.10: Electrochemistry of nano-structures at heterogeneous interfaces: formation, properties and electron transfer reactions.</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year
2002
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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