| 吡啶盐衍生物双光子吸收性质的理论研究 |
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| 引用本文： | 周玉芳,赵显,蒋民华,刘成卜.吡啶盐衍生物双光子吸收性质的理论研究[J].红外与毫米波学报,2002,21(Z1):109-111. |
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| 作者姓名： | 周玉芳 赵显 蒋民华 刘成卜 |
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| 作者单位： | 1. 山东大学晶体材料国家重点实验室,山东,济南,250100
2. 山东大学化学院,山东,济南,250100 |
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| 基金项目： | 国家重点基础研究"973"计划(批准号G1998061402)资助项目 |
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| 摘 要： | 基于ASPT分子结构,设计了一类具有双重电荷转移结构的二维有机分子生色团,并合成了其中的两种新型分子.实验测试和理论计算结果都表明此类分子在620～1200nm波长范围内没有明显的单光子吸收,因此可在该波段内研究其双光子吸收性质并寻求应用途径.应用量子化学理论中的INDO/CI方法结合计算非线性光学性质的态求和(SOS)方法对此类分子的双光子吸收性质进行了理论研究,结果显示此类分子具有较强的双光子吸收及合适的吸收波长,是一类很有前途的双光子材料.
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| 关 键 词： | 吡啶盐衍生物 双光子吸收 INDO/CI SOS. |
| 修稿时间： | 2001年6月12日 |
THEORETICAL STUDY ON TWO-PHOTON ABSORPTION OF PYRIDINIUM DERIVATIVES |
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| ZHOU Yu-Fang,ZHAO Xian JIANG Min-Hua.THEORETICAL STUDY ON TWO-PHOTON ABSORPTION OF PYRIDINIUM DERIVATIVES[J].Journal of Infrared and Millimeter Waves,2002,21(Z1):109-111. |
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| Authors: | ZHOU Yu-Fang ZHAO Xian JIANG Min-Hua |
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| Abstract: | Based on ASPT molecular structure, a new kind of two-dimensional charge-transfer chromophores was designed and two of them were synthesized. Both theoretical and experimental results show that there is no linear absorption in 620 -1200nm, so two-photon absorption can be expected in this range. Two-photon absorption (TPA) crass sections were theoretically studied by using quantum-chemical INDO/CI method combined with sum-over-states (SOS) expression. The results show, those compounds possess large TPA cross sections as well as appropriate corresponding wavelengths, implying that they are good candidates for two-photon applications. |
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| Keywords: | pyridinium derivatives two-photon absorption INDO/CI SOS |
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