Impact of the Extended 1,1'-Bipyridinium Structure on the Electron Transfer and pi-Dimer Formation. Spectroelectrochemical and Computational Study
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F15%3A00446844" target="_blank" >RIV/61388963:_____/15:00446844 - isvavai.cz</a>
Alternative codes found
RIV/61388955:_____/15:00446844
Result on the web
<a href="http://dx.doi.org/10.1021/acs.jpcc.5b04388" target="_blank" >http://dx.doi.org/10.1021/acs.jpcc.5b04388</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acs.jpcc.5b04388" target="_blank" >10.1021/acs.jpcc.5b04388</a>
Alternative languages
Result language
angličtina
Original language name
Impact of the Extended 1,1'-Bipyridinium Structure on the Electron Transfer and pi-Dimer Formation. Spectroelectrochemical and Computational Study
Original language description
The electrochemical reduction of the extended 1,1'-bipyridinium dication was investigated in detail by means of semiquantitative in situ electron paramagnetic resonance (EPR), UV-vis-NIR spectroelectrochemistry, and density functional theory (DFT) calculations. It was found that in the extended 1,1'-bipyridinium cation radical the spin density is localized on one of the pyridinium centers, which is in contrast to charge delocalization within the 4,4'-bipyridinium radical cation reported in the literature. The charge and spin density separation in the extended 1,1'-bipyridinium cation radical leads to pi-dimer formation in a triplet electronic configuration.
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
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2015
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Physical Chemistry C
ISSN
1932-7447
e-ISSN
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Volume of the periodical
119
Issue of the periodical within the volume
32
Country of publishing house
US - UNITED STATES
Number of pages
10
Pages from-to
18056-18065
UT code for WoS article
000359683800007
EID of the result in the Scopus database
2-s2.0-84939132121