| 反式二苯乙烯系列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,赵显,刘春玲,苏忠民.反式二苯乙烯系列衍生物双光子吸收截面的理论研究[J].高等学校化学学报,2001,22(7):1197-1200. |
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| 作者姓名： | 任爱民 封继康 赵显 刘春玲 苏忠民 |
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| 作者单位： | 1. 吉林大学理论化学研究所, 理论化学计算国家重点实验室, 长春 130023;
2. 山东大学晶体材料国家重点实验室, 济南 250100;
3. 哈尔滨工业大学光电子学研究所, 可调谐激光技术国家重点实验室, 哈尔滨 50001;
4. 东北师范大学功能材料化学研究所, 长春 130024 |
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| 基金项目： | 国家自然科学基金 (批准号 :2 9890 2 10，2 98730 16，2 99730 10 )，吉林大学青年教师基金 (批准号 :412 0 10 5 5 10 6 8 |
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| 摘 要： | 采用PM3和INDO/CI理论方法,系统研究了对称取代反式二苯乙烯衍生物的结构和电子光谱.在正确的UV-Vis光谱基础上,预测了双光子吸收峰的位置.自编程序用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： | 二苯乙烯衍生物 电子光谱 双光子吸收截面 |
| 文章编号： | 0251-0790(2001)07-1197-04 |
| 收稿时间： | 2000-07-14 |
Studies on the Two Photon Absorption Cross-sections of trans-Stilbene Derivatives |
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| REN Ai Min ,FENG Ji Kang ,ZHAO Xian ,LIU Chun Ling ,SU Zhong Min.Studies on the Two Photon Absorption Cross-sections of trans-Stilbene Derivatives[J].Chemical Research In Chinese Universities,2001,22(7):1197-1200. |
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| Authors: | REN Ai Min FENG Ji Kang ZHAO Xian LIU Chun Ling SU Zhong Min |
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| Institution: | 1. The National Key Laboratory of Theoreticaland Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun, 130023;
2. The National Key Laboratory of Cry stal Materials, Sandong University, Jinan, 250100;
3. Instituteof Opto-Electronics, National Key Laboratory of Tunable Laser Technology, Harbin, 150001;
4. Institute of Function Material Chemistry, Northeast Normal University, Changchun, 130024 |
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| Abstract: | The geometry, electronic structures and electronic spectra of trans stilbene derivatives are systematically studied by PM3 and INDO/CI methods. On the basis of correct UV Vis spectra, the position and strength of the two photon absorption cross sections can be predicted. We deviced a program of Sum Over States expression and calculated the nonlinear third order optical susceptibilities and two photon absorption cross sections by it. The influences of various substituents on two photon absorption cross sections are discussed micromechanically. |
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| Keywords: | Stilbene derivative Electronic spectra Two photon absorption cross section |
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