取代烷烃极性交替规律的ab initio研究

Study of the Generalized Law of Alternating Polarity

本文通过ab initio计算,比较烷烃被极性取代基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 study by ab initio method. A term must be introduced to describe the effect of inductive effect. These features are the rational results of the generalized of alternation polarity, which shows that the inductive effect results in altermating change of polarity in nonconjugated as well as conjugated systems.