| 聚酰胺酸及其接枝衍生物的三阶非线性光学性能研究 |
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| 引用本文： | 张振江,路建美,周为群,祁秀秀.聚酰胺酸及其接枝衍生物的三阶非线性光学性能研究[J].物理化学学报,2005,21(7):711-715. |
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| 作者姓名： | 张振江 路建美 周为群 祁秀秀 |
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| 作者单位： | Key Laboratory of Organic Synthesis of Jiangsu Province, College of Chemistry and Chemical Engineering, Suzhou University, Suzhou 215006； Jiangsu Industry College, Changzhou 213016 |
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| 基金项目： | 国家自然科学基金(20476066)资助项目~~ |
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| 摘 要： | 设计合成了苯代三聚氰胺与均苯四酸二酐缩聚物, 及不同侧链的p-π共轭缩聚物, 并以量子化学PM3/CIS方法为基础, 利用完全态求和(SOS)公式, 对不同侧链取代的聚酰胺酸的分子进行了几何构型优化, 并计算了其三阶非线性光学系数γ. 研究了不同侧链对聚合物三阶非线性性能的影响. 这些结果对合成具有优良加工性能的三阶非线性光学材料是有一定的指导作用.
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| 关 键 词： | 三阶非线性光学性能 聚酰胺酸 量子化学计算 CIS方法 |
| 收稿时间： | 2004-11-05 |
| 修稿时间： | 2004年11月5日 |
Theoretical Studies on the Third-order Nonlinear Optical Property of Polyamic Acid and It's Grafted Ramification |
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| ZHANG Zhen-jiang,LU Jian-mei,ZHOU Wei-Qun,QI Xiu-xiu.Theoretical Studies on the Third-order Nonlinear Optical Property of Polyamic Acid and It''''s Grafted Ramification[J].Acta Physico-Chimica Sinica,2005,21(7):711-715. |
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| Authors: | ZHANG Zhen-jiang LU Jian-mei ZHOU Wei-Qun QI Xiu-xiu |
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| Institution: | Key Laboratory of Organic Synthesis of Jiangsu Province, College of Chemistry and Chemical Engineering, Suzhou University, Suzhou 215006； Jiangsu Industry College, Changzhou 213016 |
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| Abstract: | Polycondensate of benzoguanamine(BGA) and pyromellitic dianhydride(PMDA) as well as p-π conjugate polycondensates with differ side chains were designed and synthesized on the basis of quantum chemical PM3/CIS(configuration interaction singles) method, using the sum-over-states(SOS) expression, the geometries of the polyamic acids with different side chains and their monomer are optimized, and their third-order nonlinear optical susceptibilities (γ) have been calculated. The effects of the different side chains on the third-order nonlinear optical property have been studied. These results give inspiration for synthesizing the third-order nonlinear optical material with good machining performance. |
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| Keywords: | Third-order nonlinear optical property Polyamic acid Quantum chemistry calculation CIS method |
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