Transient resonance Raman spectroscopic and ab initio MO investigation of substituent effects on the T1 triplet states of halobiphenyls
Identifieur interne : 003158 ( Main/Exploration ); précédent : 003157; suivant : 003159Transient resonance Raman spectroscopic and ab initio MO investigation of substituent effects on the T1 triplet states of halobiphenyls
Auteurs : Cheong Wan Lee [Hong Kong] ; Duohai Pan [Hong Kong, États-Unis] ; Lian C. T. Shoute [Hong Kong, Canada] ; David Lee Phillips [Hong Kong]Source :
- Journal of Raman Spectroscopy [ 0377-0486 ] ; 2001-06.
Abstract
Nanosecond transient resonance Raman spectra of the T1 states and Raman spectra of the S0 states of nine halogenated biphenyl compounds were obtained and ab initio computations were performed to determine the optimized geometry and vibrational wavenumbers of the T1 and S0 states of 10 halogenated biphenyl compounds. Substitution of halogen atoms at meta or para positions relative to the interring C—C bond leads to little change in the structure of the halogenated biphenyl compounds relative to the corresponding S0 and T1 states of biphenyl. Substitution of halogen atoms at ortho positions results in significant increases in the twisting between the two phenyl rings of the S0 and T1 states of the halogenated biphenyl compounds relative to the S0 and T1 states of biphenyl. The degree of twisting between the two phenyl rings in ortho‐substituted halogenated biphenyls appears to depend on the steric, electronegativity and/or polarizability properties of the halogen atom. Copyright © 2001 John Wiley & Sons, Ltd.
Url:
DOI: 10.1002/jrs.720
Affiliations:
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Raman Spectrosc.</title><idno type="ISSN">0377-0486</idno><idno type="eISSN">1097-4555</idno><imprint><publisher>John Wiley & Sons, Ltd.</publisher><pubPlace>Chichester, UK</pubPlace><date type="published" when="2001-06">2001-06</date><biblScope unit="volume">32</biblScope><biblScope unit="issue">6‐7</biblScope><biblScope unit="page" from="461">461</biblScope><biblScope unit="page" to="470">470</biblScope></imprint><idno type="ISSN">0377-0486</idno></series><idno type="istex">E0A23A76AF225D3F871C9899CBB00FA3388EACE4</idno><idno type="DOI">10.1002/jrs.720</idno><idno type="ArticleID">JRS720</idno></biblStruct></sourceDesc><seriesStmt><idno type="ISSN">0377-0486</idno></seriesStmt></fileDesc><profileDesc><textClass></textClass><langUsage><language ident="en">en</language></langUsage></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">Nanosecond transient resonance Raman spectra of the T1 states and Raman spectra of the S0 states of nine halogenated biphenyl compounds were obtained and ab initio computations were performed to determine the optimized geometry and vibrational wavenumbers of the T1 and S0 states of 10 halogenated biphenyl compounds. Substitution of halogen atoms at meta or para positions relative to the interring C—C bond leads to little change in the structure of the halogenated biphenyl compounds relative to the corresponding S0 and T1 states of biphenyl. Substitution of halogen atoms at ortho positions results in significant increases in the twisting between the two phenyl rings of the S0 and T1 states of the halogenated biphenyl compounds relative to the S0 and T1 states of biphenyl. The degree of twisting between the two phenyl rings in ortho‐substituted halogenated biphenyls appears to depend on the steric, electronegativity and/or polarizability properties of the halogen atom. Copyright © 2001 John Wiley & Sons, Ltd.</div></front></TEI><affiliations><list><country><li>Canada</li><li>Hong Kong</li><li>États-Unis</li></country></list><tree><country name="Hong Kong"><noRegion><name sortKey="Lee, Cheong Wan" sort="Lee, Cheong Wan" uniqKey="Lee C" first="Cheong Wan" last="Lee">Cheong Wan Lee</name></noRegion><name sortKey="Pan, Duohai" sort="Pan, Duohai" uniqKey="Pan D" first="Duohai" last="Pan">Duohai Pan</name><name sortKey="Phillips, David Lee" sort="Phillips, David Lee" uniqKey="Phillips D" first="David Lee" last="Phillips">David Lee Phillips</name><name sortKey="Phillips, David Lee" sort="Phillips, David Lee" uniqKey="Phillips D" first="David Lee" last="Phillips">David Lee Phillips</name><name sortKey="Shoute, Lian C T" sort="Shoute, Lian C T" uniqKey="Shoute L" first="Lian C. T." last="Shoute">Lian C. T. Shoute</name></country><country name="États-Unis"><noRegion><name sortKey="Pan, Duohai" sort="Pan, Duohai" uniqKey="Pan D" first="Duohai" last="Pan">Duohai Pan</name></noRegion></country><country name="Canada"><noRegion><name sortKey="Shoute, Lian C T" sort="Shoute, Lian C T" uniqKey="Shoute L" first="Lian C. T." last="Shoute">Lian C. T. Shoute</name></noRegion></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
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