取代烷烃极性交替规律的ab initio研究  

Study of the Generalized Law of Alternating Polarity

作　　者：何峰[1] 罗一帆[1] 郑康成[2] 

机构地区：[1]中山医科大学化学教研室,广州510089 [2]中山大学化学院,广州510275

出　　处：《郴州师范高等专科学校学报》1999年第3期80-85,共6页Journal of Chenzhou Teachers College

摘　　要：通过ab initio计算,比较烷烃被极性取代前后其相应的碳原子的电荷变化值,进一步证实了取代烷烃中存在着的极性交替规律,并对这一规律从理论上进行了分析。The inductive effect of various groups is studed by ab initio method, A term must be introduced to describe the effect of inductive effect. These features are the rational results of the generaliaed of alternating polatity, whicll shows that the inductive effect results in alternating change of polarity in nonconjugated as well as conjugated systems.

关 键 词：取代烷烃 极性交替 量子化学 从头计算 

分 类 号：O623.11[理学—有机化学] O641.121[理学—化学]