| H3Si+(+1,1)小分子配合物理论浅析 |
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| 引用本文： | 李衍飞,徐衍银.H3Si+(+1,1)小分子配合物理论浅析[J].泰山学院学报,2001,23(3):73-75. |
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| 作者姓名： | 李衍飞 徐衍银 |
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| 作者单位： | 1. 泰安师专化学系
2. 泰安化工技校,山东,泰安,271000 |
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| 摘 要： | 通过对H3Si+及H3Si+配合CO、N2形成"超分子"化合物的稳定构型进行全优化,得出H3Si+是平面型结构,H3Si+AB是锥形结构,其中,Si-C、Si-N键接近于单键.计算得出H3Si+及其与CO、N2所得产物均具有较负的稳定化能,证实了H3Si+与CO、N2形成稳定化合物的可能性.分析Si-C、Si-N键的形成机理及键价轨道问题,探讨了其成键规律性.
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| 关 键 词： | 稳定化能 电子转移 集居数分析 振动频率 |
| 文章编号： | 1003-7888(2001)03-0073-03 |
| 修稿时间： | 2001年2月21日 |
Theoretical Research On Small Molecule Coordination Containing H3Si+ |
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| LI Yan-fei ,XU Yan-yin.Theoretical Research On Small Molecule Coordination Containing H3Si+[J].Journal of Taishan University,2001,23(3):73-75. |
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| Authors: | LI Yan-fei XU Yan-yin |
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| Institution: | LI Yan-fei 1,XU Yan-yin 2 |
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| Abstract: | Through studying the supermolecular structure of hydrosilions complexing carbon monoxide or nitrogen,The author has gotten that H 3Si has the planar structure and H 3Si AB has the conoid structure .In these structure ,Silicon carbon bond and silicon nitrogen bond are closed to single bond .And also he gets the supermolecular structures have negative stable state energy .these all approve of the exsiting possibility of the stable structure.later the author analysis the forming mechanism of single bond and the bond orbital. |
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| Keywords: | stable state energy electronic migration hydrosilions oscillation frequency |
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