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Article: The valence-bond charge-transfer-exciton model for predicting nonlinear optical properties (hyperpolarizabililies and saturation length) of polymeric materials
Title | The valence-bond charge-transfer-exciton model for predicting nonlinear optical properties (hyperpolarizabililies and saturation length) of polymeric materials |
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Authors | |
Issue Date | 1994 |
Publisher | American Institute of Physics. The Journal's web site is located at http://jcp.aip.org/jcp/staff.jsp |
Citation | The Journal of Chemical Physics, 1994, v. 101 n. 6, p. 4920-4930 How to Cite? |
Abstract | A simple theory is developed and applied to the polarizability (α), second hyperpolarizability (γ), and the saturation lengths for nine polymeric materials. The theory is based on a valence bond view of the ground and excited states and considers the excited states as charge transfer excitons. It involves just two parameters which can be extracted from simple molecular orbital calculations and/or from experimental values of band gap and bandwidth. For the one system (oligothiophenes) with experimental data on saturation length, the predicted behavior of α and γ with polymer length is in good agreement with experiment. © 1994 American Institute of Physics. |
Persistent Identifier | http://hdl.handle.net/10722/167524 |
ISSN | 2023 Impact Factor: 3.1 2023 SCImago Journal Rankings: 1.101 |
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 | Goddard Iii, WA | en_US |
dc.date.accessioned | 2012-10-08T03:08:04Z | - |
dc.date.available | 2012-10-08T03:08:04Z | - |
dc.date.issued | 1994 | en_US |
dc.identifier.citation | The Journal of Chemical Physics, 1994, v. 101 n. 6, p. 4920-4930 | - |
dc.identifier.issn | 0021-9606 | en_US |
dc.identifier.uri | http://hdl.handle.net/10722/167524 | - |
dc.description.abstract | A simple theory is developed and applied to the polarizability (α), second hyperpolarizability (γ), and the saturation lengths for nine polymeric materials. The theory is based on a valence bond view of the ground and excited states and considers the excited states as charge transfer excitons. It involves just two parameters which can be extracted from simple molecular orbital calculations and/or from experimental values of band gap and bandwidth. For the one system (oligothiophenes) with experimental data on saturation length, the predicted behavior of α and γ with polymer length is in good agreement with experiment. © 1994 American Institute of Physics. | en_US |
dc.language | eng | en_US |
dc.publisher | American Institute of Physics. The Journal's web site is located at http://jcp.aip.org/jcp/staff.jsp | en_US |
dc.relation.ispartof | The Journal of Chemical Physics | en_US |
dc.rights | Copyright 1994 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in The Journal of Chemical Physics, 1994, v. 101 n. 6, p. 4920-4930 and may be found at https://doi.org/10.1063/1.467414 | - |
dc.title | The valence-bond charge-transfer-exciton model for predicting nonlinear optical properties (hyperpolarizabililies and saturation length) of polymeric materials | 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 | published_or_final_version | en_US |
dc.identifier.doi | 10.1063/1.467414 | - |
dc.identifier.scopus | eid_2-s2.0-0028515784 | en_US |
dc.identifier.volume | 101 | en_US |
dc.identifier.issue | 6 | en_US |
dc.identifier.spage | 4920 | en_US |
dc.identifier.epage | 4930 | en_US |
dc.identifier.isi | WOS:A1994PF94300048 | - |
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 | Goddard III, WA=36042196400 | en_US |
dc.identifier.issnl | 0021-9606 | - |