取代烷烃极性交替规律的ab initio研究

Study of the Generalized Law of Alternating Polarity

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.