| Solvent effects on structure and optical properties of a D- π-A azobenzene dye |
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| 引用本文： | 王传奎,邢晓娟,黄晓明,高云. Solvent effects on structure and optical properties of a D- π-A azobenzene dye[J]. 中国物理, 2007, 16(11): 3323-3327 |
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| 作者姓名： | 王传奎 邢晓娟 黄晓明 高云 |
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| 作者单位： | [1]College of Physics and Electronics,Shandong Normal University,Jinan250014,China [2]Department of Physics,Heze College,Heze274015,China |
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| 基金项目： | Project supported by the National Natural Science Foundation of China （Grant No 10674084）. |
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| 摘 要： | Time-dependent hybrid density functional theory in combination with Onsager reaction field model and super-molecular model has been applied to study solvent effects on the geometrical and electronic structures, as well as one/two-photon absorption properties, of 4-（N-（2-hydroxyethyl）-N-methyl）-amino-4＇-nitroazobenzene. It is found that the short-range interaction has a large effect on the electronic structure of the solute molecule, namely, large red-shift of the maximum one-photon absorption is induced by hydrogen bonding. The solute molecule has a large two-photon absorption cross section, which is enhanced by the solvent effect. The computational results are in good agreement with measurements.[第一段]
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| 关 键 词： | 溶解效应 反应理论 氢连接 光子吸收 |
| 文章编号： | 1009-1963/2007/16（11）/3323-05 |
| 修稿时间： | 2007-01-07 |
Solvent effects on structure and optical properties of a D- π-A azobenzene dye |
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| Wang Chuan-Kui,Xing Xiao-Juan,Huang Xiao-Ming and Gao Yun. Solvent effects on structure and optical properties of a D- π-A azobenzene dye[J]. Chinese Physics, 2007, 16(11): 3323-3327 |
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| Authors: | Wang Chuan-Kui Xing Xiao-Juan Huang Xiao-Ming Gao Yun |
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| Affiliation: | 1. College of Physics and Electronics, Shandong Normal University, Jinan 250014, China; 2. Department of Physics, Heze College, Heze 274015, China |
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| Abstract: | |
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| Keywords: | solvent effects response theory hydrogen bonding two-photon absorption |
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