| 不同类型二苯乙烯衍生物双光子吸收截面的理论研究 |
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| 引用本文： | 任爱民,封继康,郭景富.不同类型二苯乙烯衍生物双光子吸收截面的理论研究[J].化学学报,2001,59(4):508-515. |
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| 作者姓名： | 任爱民 封继康 郭景富 |
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| 作者单位： | 吉林大学理论化学研究所.长春(130023);吉林大学理论化学计算国家重点实验 室;吉林大学超分子结构及谱学开放实验室;东北师范大学物理系 |
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| 基金项目： | 国家自然科学基金(29973010,29873016)资助课题 |
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| 摘 要： | 用AM1和INDO/CI理论方法，系统研究不同类型二苯乙烯衍生物(D-π-D,A-π-A,D-π-A)的结构和电子光谱。在正确的UV-vis光谱基础上，预测了双光子吸收峰的位置，用SOS公式计算了三阶非线性光学系数及双光子吸收截面，并从微观上探讨了不同取代基对双光子吸收截面的影响。
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| 关 键 词： | 苯乙烯P 电子光谱 双光子吸收 |
| 修稿时间： | 2000年9月5日 |
Studies on Two-photon absorption cross-sections of different type stilbene derivatives |
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| Ren Aimin,Feng Jikang,Guo Jingfu.Studies on Two-photon absorption cross-sections of different type stilbene derivatives[J].Acta Chimica Sinica,2001,59(4):508-515. |
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| Authors: | Ren Aimin Feng Jikang Guo Jingfu |
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| Institution: | Jilin Univ, Inst Theoret Chem.Changchun(130023) |
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| Abstract: | The geometry, electronic structures and electronic spectra of different type stilbene derivatives (D-π-D,A-π-A,D-π-A) are systematically studied by AM1 and INDO/CI methods. On the basis of correct UV-vis spectra, the position and strength of two- photon absorption can be predicted. Nonlinear third- order optical susceptibilities and two-photon absorption cross-sections was calculated using a program of Sum-over-states expression complied by the present authors. The influence of various substituents on two- photon absorption cross-sections are discussed micromechanically. |
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| Keywords: | STYRENE P ELECTRONIC SPECTROSCOPY TWO PHOTON ABSORPTION |
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