UV-vis-NIR and EPR characterisation of the redox series [MQ3]2+,+,0,,2, M = Ru or Os, and Q = o-quinone derivative
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F12%3A00379014" target="_blank" >RIV/61388955:_____/12:00379014 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1039/C2DT30846K" target="_blank" >http://dx.doi.org/10.1039/C2DT30846K</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1039/C2DT30846K" target="_blank" >10.1039/C2DT30846K</a>
Alternative languages
Result language
angličtina
Original language name
UV-vis-NIR and EPR characterisation of the redox series [MQ3]2+,+,0,,2, M = Ru or Os, and Q = o-quinone derivative
Original language description
The neutral title compounds with Q = 3,5-di-tert-butyl-o-quinone or 4,6-di-tert-butyl-N-phenyl-o-iminobenzoquinone (Qx) were studied by UV-vis-NIR spectroelectrochemistry and by EPR spectroscopy in the case of the odd-electron monocation and monoanion intermediates. Supported by DFT and TD-DFT calculations, the results indicate stepwise electron removal from predominantly ligand-based delocalised MOs on oxidation whereas the stepwise electron uptake on reduction involves unoccupied MOs with considerablymetal?ligand mixed character. In both cases, the strong near-infrared absorption of the neutral precursors diminishes. In comparison to the ruthenium series, the osmium analogues exhibit larger transition energies from enhanced MO splitting and a different EPR response due to the higher spin?orbit coupling. The main difference between the quinone (1n, 2n) and corresponding monoiminoquinone systems (3n, 4n) is the shift of about 0.6 V to lower potentials for the monoimino analogues. Whil
Czech name
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Czech description
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Classification
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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Result continuities
Project
<a href="/en/project/LD11086" target="_blank" >LD11086: Quantum chemical interpretation and prediction of spectral characteristics of heavy transition metal complexes</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2012
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Dalton Transactions
ISSN
1477-9226
e-ISSN
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Volume of the periodical
41
Issue of the periodical within the volume
29
Country of publishing house
GB - UNITED KINGDOM
Number of pages
9
Pages from-to
8913-8921
UT code for WoS article
000305891100021
EID of the result in the Scopus database
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