| 三维球状液晶的模型分子（C6H5）Si（OC6H4）3N结构的PM3研究 |
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| 引用本文： | 丁涪江,张良辅.三维球状液晶的模型分子（C6H5）Si（OC6H4）3N结构的PM3研究[J].化学研究与应用,1997,9(1):76-79. |
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| 作者姓名： | 丁涪江 张良辅 |
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| 作者单位： | 中国科学院成都有机化学研究所 |
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| 摘 要： | 三维球状液晶的模型分子（Ｃ６Ｈ５）Ｓｉ（ＯＣ６Ｈ４）３Ｎ结构的ＰＭ３研究＊丁涪江张良辅（中国科学院成都有机化学研究所成都６１００４１）关键词三苯并硅杂烷环状分子ＰＭ３方法液晶分子多为棒状一维结构和盘状二维结构。最近发现三维球状液晶分子，即长链烷烃取代...
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| 关 键 词： | 三苯并硅杂烷 环状分子 PM3法 液晶 |
A PME STUDY ON THE STRUCTURE OF MODEL MOLECULE OF THREE DIMENSIONAL MESOGEN |
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| Ding Fujiang,Zhang Lianfu.A PME STUDY ON THE STRUCTURE OF MODEL MOLECULE OF THREE DIMENSIONAL MESOGEN[J].Chemical Research and Application,1997,9(1):76-79. |
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| Authors: | Ding Fujiang Zhang Lianfu |
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| Abstract: | The molecule (C 6H 5)Si(OC 6H 4) 3N(1) is a good model for sphere like three dimensional mesogen tetrasubstituted tribenzosilatranes.We investigate the structure and electronic properties of (1) using semi empirical PM3 method.The calculated structural parameters are consistent with the X ray results.The force constant analysis confirms that the optimized structure of molecule(1) is a true minimum in energy supersurface.The Si atom in molecule(1) may probably be ascribed to tenelectron five coordinate structure. |
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| Keywords: | tribenzosilatrane sphere like molecule PM3 method |
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