屏蔽-钻穿常数与取代基效应的定量研究(Ⅱ)——含杂原子的烷基的取代基效应

QUANTIFYING THE SUBSTITUENT EFFECT WITH PEN ETRATING-SHIELDING CONSTANT(Ⅱ) ——the Substituent effect of heteroatomic alkyl group

本文以碳原子IS电子轨道能级计算含杂原子的烷基的屏蔽-钻穿数S’_R,并以此定量基团的取代基效应,讨论了S’_R与基团的电负性(X_G),与基团的诱导效应指数(I)等的关系。

In this paper, the penetrating-shielding constant SR- of heter-oatomic alkyl groups were calculated basing on the ls electron orbital energy level of carbon atom in compounds, and the substituent effect of groups were quantified with the SR’. Also the relations between the SR’ and electro negativity XG of the groups,the SR’ and inductive effect index I of the groups were discussed.