| Solvent effects on optical properties of a newly synthesized two-photon polymerization initiator： BPYPA |
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| 引用本文： | 郭雅慧,孙元红,陶丽敏,赵珂,王传奎.Solvent effects on optical properties of a newly synthesized two-photon polymerization initiator： BPYPA[J].中国物理 B,2005,14(11):2202-2207. |
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| 作者姓名： | 郭雅慧 孙元红 陶丽敏 赵珂 王传奎 |
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| 作者单位： | College of Physics and Electronics, Shandong Normal University, Jinan 250014, China;College of Physics and Electronics, Shandong Normal University, Jinan 250014, China;College of Physics and Electronics, Shandong Normal University, Jinan 250014, China;College of Physics and Electronics, Shandong Normal University, Jinan 250014, China;College of Physics and Electronics, Shandong Normal University, Jinan 250014, China |
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| 基金项目： | Project supported by the National Natural Science Foundation of China (Grant No 10274044) and Shandong Natural Science Foundation (Grant No Y2004A08). |
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| 摘 要： | Time-dependent hybrid density functional theory in combination with polarized continuum model is applied to study the solvent effects on the geometrical and electronic structures as well as one- and two-photon absorption processes, of a newly synthesized asymmetrical charge-transfer organic molecule bis-（4-bromo-phenyl）-4-（2-pyridin-4-yl-vinyl）phenyl]-amine （BPYPA）. There exist two charge-transfer states for the compound in visible region. The two-photon absorption cross section calculated by a three-state model and solvatochromic shift of the charge-transfer states are found to be solvent-dependent, where a nonmonotonic behaviour with respect to the polarity of the solvents is observed. The numerical results show that the organic molecule exhibits a rather large two-photon absorption cross section as compared with the compound 4-trans-p-（N, N-Di-n-butylamino）-p-stilbenyl vinyl] pyridine （DBASVP） reported previously, and is predicted to be a good two-photon polymerization initiator. The hydrogen-bond effect is analysed. The computational results are in good agreement with the measurements.
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| 关 键 词： | 光学性质 光子聚合 BPYPA 不定常密度函数 偏振模型 吸收过程 |
| 收稿时间： | 2005-03-24 |
| 修稿时间： | 2005-03-242005-05-11 |
Solvent effects on optical properties of a newly synthesized two-photon polymerization initiator: BPYPA |
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| Guo Ya-Hui,Sun Yuan-Hong,Tao Li-Min,Zhao Ke and Wang Chuan-Kui.Solvent effects on optical properties of a newly synthesized two-photon polymerization initiator: BPYPA[J].Chinese Physics B,2005,14(11):2202-2207. |
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| Authors: | Guo Ya-Hui Sun Yuan-Hong Tao Li-Min Zhao Ke and Wang Chuan-Kui |
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| Institution: | College of Physics and Electronics, Shandong Normal University, Jinan 250014, China |
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| Abstract: | Time-dependent hybrid density functional theory in combination with polarized continuum model is applied to study the solvent effects on the geometrical and electronic structures as well as one- and two-photon absorption processes, of a newly synthesized asymmetrical charge-transfer organic molecule
bis-(4-bromo-phenyl)-4-(2-pyridin-4-yl-vinyl)-phenyl]-amine (BPYPA).There exist two charge-transfer states for the compound in visible region. The two-photon absorption cross section calculated by a three-state model and solvatochromic shift of the charge-transfer states are found to be solvent-dependent, where a nonmonotonic behaviour with respect to the polarity of the solvents is observed. The numerical results show that the organic molecule exhibits a rather large two-photon absorption cross section as compared with the compound 4-trans-p-(N, N-Di-n-butylamino)-p-stilbenyl vinyl] pyridine (DBASVP) reported previously, and is predicted to be a good two-photon polymerization initiator. The hydrogen-bond effect is analysed. The computational results are in good agreement with the measurements. |
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| Keywords: | few-state model two-photon absorption solvent effect |
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