| 肉桂醛衍生物的分子二阶非线性光学效应的理论研究 |
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| 引用本文： | 曹阳,赵波,左涛. 肉桂醛衍生物的分子二阶非线性光学效应的理论研究[J]. 中国激光, 1996, 23(11): 1031-1034 |
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| 作者姓名： | 曹阳 赵波 左涛 |
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| 作者单位： | 苏州大学化学系 |
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| 摘 要： | 采用ＣＮＤＯ／Ｓ—ＣＩ方法结合引入外场的微扰理论．计算了一系列内桂醛衍生物的分子二阶极化率，并且从微观上探讨了该类化合物取代基的电子性质、取代基位置及其取代数目对分子二阶非线性光学系数的影响。结果表明，该类化合物有较高的分子二阶极化率；取代基的电子性质和取代方式对其有明显的影响。
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| 关 键 词： | 分子二阶极化率，肉桂醛衍生物．共轭体系．非线性材料 |
| 收稿时间： | 1995-12-08 |
Theoretical Study on Nonlinear Optical Properties of the Substituted Cinnamonaldehyde Derivatives |
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| Cao Yang,Zhao Bo ,Zuo Tao. Theoretical Study on Nonlinear Optical Properties of the Substituted Cinnamonaldehyde Derivatives[J]. Chinese Journal of Lasers, 1996, 23(11): 1031-1034 |
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| Authors: | Cao Yang Zhao Bo Zuo Tao |
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| Affiliation: | Department of Chemistry;Suzhou University; Suzhou 215006 |
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| Abstract: | The second-order nonlinear optical polarizabilities of a series of substitutedcinnamonaldehyde derivatives using the CNDO/S-CI method and Perturbation theory wereCalculated and the structure dependence of their nonlinear optical properties was studied. TheresultS reveal that this kind of compounds have fairly large second-order POlarizabilities.Morever;there is close relation between the best structures and the high values of P. So weconsider that this series of compounds are worthy of being studied further. |
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| Keywords: | second-order nonlinear optical polarizability cinnarnonaldehyde derivatives conjugated system nonlinear materials |
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