| 硅烯低聚体的电子结构性质 |
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| 引用本文： | 汤彬,崔彬,周玉芳.硅烯低聚体的电子结构性质[J].山东教育学院学报,2010,25(6):17-20. |
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| 作者姓名： | 汤彬 崔彬 周玉芳 |
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| 作者单位： | 山东大学物理学院,山东济南250100 |
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| 基金项目： | 国家基础科学培养基金(NFFTBS) |
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| 摘 要： | 以硅烯为重要反应中间体的硅烯化学越来越引起人们的重视,本文选取含N杂环的硅烯稳定结构作为基本单元,探讨通过S i-O键合形成的低聚体的电子结构特性.采用Gaussian03程序包中的AM1方法,计算了几种模型的能级结构、电荷分布及激发态性质,并对计算结果从微观机理上进行了分析.
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| 关 键 词： | 硅烯低聚体 AM1 电子结构 |
Electronic Property of N-Heterocyclic Silylene Polymers |
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| Tang Bin,Cui Bin,Zhou Yufang.Electronic Property of N-Heterocyclic Silylene Polymers[J].Journal of Shandong Education Institute,2010,25(6):17-20. |
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| Authors: | Tang Bin Cui Bin Zhou Yufang |
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| Institution: | Tang Bin Cui Bin Zhou Yufang(School of Physics,Shandong University,Jinan 250100,China) |
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| Abstract: | Silylenes are key intermediates in many chemical reactions.In this paper,AM1 method include in Gaussian03 program package was used to explore the electronic property of Polymers performed by N-Heterocyclic Silylenes.The band and gap character,as well as the properties of excited states were obtained.The results were discussed and analyzed with micro mechanism. |
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| Keywords: | Silylene polymer AM1 Electronic property |
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