Linked Life Data

16805500

Source:http://linkedlifedata.com/resource/pubmed/id/16805500

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
26
pubmed:dateCreated
2006-6-29
pubmed:abstractText
Electrochemical cyclization/cycloreversion reactions of a diarylethene, 1,2-bis(3-methyl-2-thienyl)perfluorocyclopentene, are examined experimentally by electron spin resonance (ESR) and absorption spectra. To understand the ESR spectrum, the hyperfine coupling constants are calculated by the density functional theory (DFT) with the B3LYP exchange-correlation functional. The averaged values of the hyperfine coupling constants are approximated by imposing the C(2) symmetry on the structure of the diarylethene. We found that the spectral width of the ESR is significantly different between the open- and closed-ring isomers. This is due to the difference in the pi-conjugation between two isomers. The ESR spectral width analysis could, thus, be used to identify the isomerization of the radical species, which involve the change of the pi-conjugation. The experimentally observed spectrum is found to be the mixture of the open- and closed-ring isomers of the diarylethene. The excitation energies of the cationic diarylethenes are further identified by the SAC-CI calculations.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Jul
pubmed:issn
1089-5639
pubmed:author
pubmed:issnType
Print
pubmed:day
6
pubmed:volume
110
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
8137-43
pubmed:meshHeading
pubmed:year
2006
pubmed:articleTitle
Characterization of cationic diarylethene by electron spin resonance and absorption spectra-ratio of open/closed-ring isomers.
pubmed:affiliation
Mitsubishi Chemical Group, Science and Technology Research Center, Inc. and CREST-JST, 1000 Kamoshida-cho, Aoba-ku, Yokohama, 227-8502 Japan. yokojima@rc.m-kagaku.cp.jp
pubmed:publicationType
Journal Article, Research Support, Non-U.S. Gov't