Source:http://linkedlifedata.com/resource/pubmed/id/17510990
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| Predicate | Object |
|---|---|
| rdf:type | |
| lifeskim:mentions | |
| pubmed:issue |
9
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| pubmed:dateCreated |
2007-6-20
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| pubmed:abstractText |
The change of the phenol dimer (PH2) structure upon electronic excitation is determined by a Franck-Condon analysis of the intensities in the fluorescence emission spectra obtained via excitation of seven different vibronic bands. A total of 547 emission band intensities are fitted, together with the changes of rotational constants upon electronic excitation of fi ve isotopomers. These rotational constants are taken from previously published [Schmitt et al. ChemPhysChem 2006, 7, 1241-1249] high-resolution LIF measurements. The geometry change upon electronic excitation of the pipi* state of the donor moiety can be described by a strong shortening of the hydrogen bond, a shortening of the CO bond in the donor moiety, an overall symmetric expansion of the donor phenol ring, and a nearly unchanged acceptor moiety. The resulting geometry changes are interpreted on the basis of ab initio calculations.
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| pubmed:language |
eng
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| pubmed:journal | |
| pubmed:status |
PubMed-not-MEDLINE
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| pubmed:month |
Jun
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| pubmed:issn |
1439-4235
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| pubmed:author | |
| pubmed:issnType |
Print
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| pubmed:day |
25
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| pubmed:volume |
8
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| pubmed:owner |
NLM
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| pubmed:authorsComplete |
Y
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| pubmed:pagination |
1394-401
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| pubmed:year |
2007
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| pubmed:articleTitle |
Determination of the geometry change of the phenol dimer upon electronic excitation.
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| pubmed:affiliation |
Heinrich-Heine-Universität, Institut für Physikalische Chemie I, 40225 Düsseldorf, Germany.
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| pubmed:publicationType |
Journal Article
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