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- Publisher Website: 10.1021/ja00102a037
- Scopus: eid_2-s2.0-0028548035
- WOS: WOS:A1994PT13000037
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Article: Valence-bond charge-transfer model for nonlinear optical properties of charge-transfer organic molecules
Title | Valence-bond charge-transfer model for nonlinear optical properties of charge-transfer organic molecules |
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Authors | |
Issue Date | 1994 |
Publisher | American 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? |
Abstract | The 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 Identifier | http://hdl.handle.net/10722/167527 |
ISSN | 2023 Impact Factor: 14.4 2023 SCImago Journal Rankings: 5.489 |
ISI Accession Number ID |
DC Field | Value | Language |
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dc.contributor.author | Lu, D | en_US |
dc.contributor.author | Chen, G | en_US |
dc.contributor.author | Perry, JW | en_US |
dc.contributor.author | Goddard Iii, WA | en_US |
dc.date.accessioned | 2012-10-08T03:08:07Z | - |
dc.date.available | 2012-10-08T03:08:07Z | - |
dc.date.issued | 1994 | en_US |
dc.identifier.citation | Journal Of The American Chemical Society, 1994, v. 116 n. 23, p. 10679-10685 | en_US |
dc.identifier.issn | 0002-7863 | en_US |
dc.identifier.uri | http://hdl.handle.net/10722/167527 | - |
dc.description.abstract | The 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.language | eng | en_US |
dc.publisher | American Chemical Society. The Journal's web site is located at http://pubs.acs.org/journals/jacsat/index.html | en_US |
dc.relation.ispartof | Journal of the American Chemical Society | en_US |
dc.title | Valence-bond charge-transfer model for nonlinear optical properties of charge-transfer organic molecules | en_US |
dc.type | Article | en_US |
dc.identifier.email | Chen, G:ghc@yangtze.hku.hk | en_US |
dc.identifier.authority | Chen, G=rp00671 | en_US |
dc.description.nature | link_to_subscribed_fulltext | en_US |
dc.identifier.doi | 10.1021/ja00102a037 | - |
dc.identifier.scopus | eid_2-s2.0-0028548035 | en_US |
dc.identifier.volume | 116 | en_US |
dc.identifier.issue | 23 | en_US |
dc.identifier.spage | 10679 | en_US |
dc.identifier.epage | 10685 | en_US |
dc.identifier.isi | WOS:A1994PT13000037 | - |
dc.publisher.place | United States | en_US |
dc.identifier.scopusauthorid | Lu, D=7403079452 | en_US |
dc.identifier.scopusauthorid | Chen, G=35253368600 | en_US |
dc.identifier.scopusauthorid | Perry, JW=35447742400 | en_US |
dc.identifier.scopusauthorid | Goddard III, WA=36042196400 | en_US |
dc.identifier.issnl | 0002-7863 | - |