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Article: Valence-bond charge-transfer model for nonlinear optical properties of charge-transfer organic molecules

TitleValence-bond charge-transfer model for nonlinear optical properties of charge-transfer organic molecules
Authors
Issue Date1994
PublisherAmerican Chemical Society. The Journal's web site is located at http://pubs.acs.org/journals/jacsat/index.html
Citation
Journal Of The American Chemical Society, 1994, v. 116 n. 23, p. 10679-10685 How to Cite?
AbstractThe nonlinear optical properties of charge-transfer organic materials are discussed in the framework of a simple valence-bond charge-transfer model. This model leads to analytic formulas for the absorption frequency, hyperpolarizabilities, and bond length alternation, all of which are described in terms of three parameters, V, t, and Q related to the band gap, bandwidth, and dipole moment of the charge-transfer state. These parameters are derivable from experiment or from theory. The valence-bond charge-transfer model provides a clear physical picture for the dependence of the hyperpolarizabilities on the structure of charge-transfer molecules and leads to good agreement with the trends predicted by the AMI calculations.
Persistent Identifierhttp://hdl.handle.net/10722/167527
ISSN
2015 Impact Factor: 13.038
2015 SCImago Journal Rankings: 7.123
ISI Accession Number ID

 

DC FieldValueLanguage
dc.contributor.authorLu, Den_US
dc.contributor.authorChen, Gen_US
dc.contributor.authorPerry, JWen_US
dc.contributor.authorGoddard Iii, WAen_US
dc.date.accessioned2012-10-08T03:08:07Z-
dc.date.available2012-10-08T03:08:07Z-
dc.date.issued1994en_US
dc.identifier.citationJournal Of The American Chemical Society, 1994, v. 116 n. 23, p. 10679-10685en_US
dc.identifier.issn0002-7863en_US
dc.identifier.urihttp://hdl.handle.net/10722/167527-
dc.description.abstractThe nonlinear optical properties of charge-transfer organic materials are discussed in the framework of a simple valence-bond charge-transfer model. This model leads to analytic formulas for the absorption frequency, hyperpolarizabilities, and bond length alternation, all of which are described in terms of three parameters, V, t, and Q related to the band gap, bandwidth, and dipole moment of the charge-transfer state. These parameters are derivable from experiment or from theory. The valence-bond charge-transfer model provides a clear physical picture for the dependence of the hyperpolarizabilities on the structure of charge-transfer molecules and leads to good agreement with the trends predicted by the AMI calculations.en_US
dc.languageengen_US
dc.publisherAmerican Chemical Society. The Journal's web site is located at http://pubs.acs.org/journals/jacsat/index.htmlen_US
dc.relation.ispartofJournal of the American Chemical Societyen_US
dc.titleValence-bond charge-transfer model for nonlinear optical properties of charge-transfer organic moleculesen_US
dc.typeArticleen_US
dc.identifier.emailChen, G:ghc@yangtze.hku.hken_US
dc.identifier.authorityChen, G=rp00671en_US
dc.description.naturelink_to_subscribed_fulltexten_US
dc.identifier.doi10.1021/ja00102a037-
dc.identifier.scopuseid_2-s2.0-0028548035en_US
dc.identifier.volume116en_US
dc.identifier.issue23en_US
dc.identifier.spage10679en_US
dc.identifier.epage10685en_US
dc.identifier.isiWOS:A1994PT13000037-
dc.publisher.placeUnited Statesen_US
dc.identifier.scopusauthoridLu, D=7403079452en_US
dc.identifier.scopusauthoridChen, G=35253368600en_US
dc.identifier.scopusauthoridPerry, JW=35447742400en_US
dc.identifier.scopusauthoridGoddard III, WA=36042196400en_US

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