| 外场作用下含羟乙基活性基团的噻唑生色分子的光谱和二阶非线性光学性质 |
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| 引用本文： | 李雪梅,李权,赵可清. 外场作用下含羟乙基活性基团的噻唑生色分子的光谱和二阶非线性光学性质[J]. 四川师范大学学报(自然科学版), 2010, 33(2). DOI: 10.3969/j.issn.1001-8395.2010.02.023 |
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| 作者姓名： | 李雪梅 李权 赵可清 |
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| 作者单位： | 1. 乐山师范学院,物理与电子工程学院,四川,乐山,614000
2. 四川师范大学,先进功能材料四川省高校重点实验室,四川,成都,610066 |
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| 基金项目： | 国家自然科学基金,四川省教育厅自然科学重点基金 |
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| 摘 要： | 在B3LYP/6-31+G*水平上研究了外加电场对具有较好非线性光学性质的含羟乙基活性基团的噻唑生色分子结构和光谱与二阶非线性光学性质的影响.结果表明,随着外加电场的增大,最强红外吸收的强度明显减弱,最高占据轨道能量降低,最低空轨道能量升高,能隙增大,电子的最大吸收波长减小,二阶非线性光学性质减小.
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| 关 键 词： | 噻唑生色分子 光谱 外场 二阶非线性光学性质 |
Spectra and Second-order Nonlinear Optical Properties of Thiazole Chromophores with Active Hydroxyethyl Group under the External Electric Field |
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| LI Xue-mei,LI Quan,ZHAO Ke-qing. Spectra and Second-order Nonlinear Optical Properties of Thiazole Chromophores with Active Hydroxyethyl Group under the External Electric Field[J]. Journal of Sichuan Normal University(Natural Science), 2010, 33(2). DOI: 10.3969/j.issn.1001-8395.2010.02.023 |
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| Authors: | LI Xue-mei LI Quan ZHAO Ke-qing |
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| Affiliation: | LI Xue-mei1,LI Quan2,ZHAO Ke-qing2(1.Department of Physics , Electronic Engineering,Leshan Normal College,Leshan 614000,Sichuan,2.Key Laboratory of Advanced Functional Materials,Sichuan Normal University,Chengdu 610066,Sichuan) |
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| Abstract: | Under different external electric field,the structures,the spectra and the second-order nonlinear optical(NLO) properties of Thiazole chromophores with active hydroxyethyl group have been studied at B3LYP/6-31+G* level.The results show that with the increasing of the external electric field,the IR intensity of the maximum absorption,the energy of HOMO,the maximum absorption wave length and the second-order NLO properties are found to decrease,while the energy of LUMO and the energy gap are found to increase... |
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| Keywords: | Thiazole chromophores spectra external electric field the second nonlinear optical properties |
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