硅烯低聚体的电子结构性质  

Electronic Property of N-Heterocyclic Silylene Polymers

作　　者：汤彬[1] 崔彬[1] 周玉芳[1] 

机构地区：[1]山东大学物理学院,山东济南250100

出　　处：《山东教育学院学报》2010年第6期17-20,共4页Journal of Shandong Education Institute

基　　金：国家基础科学培养基金(NFFTBS)J0730318

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.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.

关 键 词：硅烯低聚体 AM1 电子结构 

分 类 号：O634.4[理学—高分子化学]