硅烷类分子体系中硅氢伸张振动频率同硅氢键长关系的研究  

A Study of Relationship between the Extending Vibration Frequency and the Bond Length of Silicon Hydrogen in Silane

作　　者：周平[1] 李学全[1] 

机构地区：[1]重庆邮电学院基础部

出　　处：《重庆邮电学院学报（自然科学版）》1997年第4期70-73,共4页Journal of Chongqing University of Posts and Telecommunications(Natural Sciences Edition)

摘　　要：论文利用半经验分子轨道理论方法—全略微分重叠（ＣＮＤＯ／２）计算了硅烷类分子体系中的硅氢键长，拟合出硅烷类分子体系中硅氢伸张振动频率同硅氢键长关系的理论公式，利用该拟合公式计算了硅氢伸张振动频率，并同频率实验值进行了比较。最后从数学上分析得出该公式是可靠的。Using the self experience molecular orbit theory(complete neglect differential overlap)(CNDO/2), this paper calculates the bond length of Silicon Hydrogen in the Silane molecular system, works out a theory formula about the relationship between the extending vibration frequency and bond length of Silicon Hydrogen in Silane molecular system. It also compares the extending vibration frequency calculated by this theory formula with the experiment value of frequency, and analyses the reliablity of this formula mathematically in the end.

关 键 词：分子轨道理论 硅烷类分子体系 CNDO/2 

分 类 号：O641.122[理学—物理化学]