环状共轭多烯烃简并分子轨道的群论处理  

TREATING THE DEGENERATE MOLECULAR ORBITS OF CONJUGATED SYSTEM WITH THE GROUP THEORY

作　　者：骆定法[1] 梁斌[2] 邓中国[3] 刘雪[1] 

机构地区：[1]信阳师范学院化学化工学院,河南信阳464000 [2]信阳职业技术学院,河南信阳464000 [3]莱芜职业技术学院,山东莱芜271100

出　　处：《山东农业大学学报（自然科学版）》2007年第2期257-260,共4页Journal of Shandong Agricultural University：Natural Science Edition

摘　　要：以苯分子为例用群论方法对简并能级进行了处理,得出了用群论方法处理环状共轭多烯烃(CnHn)简并能级分子轨道的一般方法,证明了简并分子轨道的不同表示形式实质上是等价的,介绍了3-8元环状共轭多烯烃的分子轨道。The degenerate energy levels were treated with the method of group theory and benzene molecule was taken as an example. A general procedure was developed for the numeration of degenerate molecular orbits of a conjugated system by means of group theory. The results show that degenerate molecular orbits can be expressed in various forms, but they are essentially the same. The molecular orbits of circular conjugated system containing 3 -8 atoms were taken for consideration.

关 键 词：HMO理论 共轭体系 简并分子轨道 群论处理 

分 类 号：Q31[生物学—遗传学] S965.3[农业科学—水产养殖]