屏蔽-钻穿常数与碳正离子的稳定性

The Penetrating-Shielding Constant and Its Stability for Carbocation

用碳自由基的电离能计算其屏蔽一钻穿常数S_(R(C))~′,可定量碳正离子的稳定性。并且S_(R(C))~′与键离解能DH°(R^+/X^-),分子(RX)的电离能Ip_((RX))及醇、胺的质子亲合能PA有良好的线性关系。

The stability of carbocation was quantified with the penetrating shielding constant SR’(C) obtained basing on. the ionization energy Ip of carbon free radical. And there were good linear correlations between the SR’(C) and the standard heterolytic bond dissociation enthalpy DH°(R+/X-);the SR’ (C) and the ionization energy, Ip (RX) of molecule RX;and the SR’(C) and the proton ffainity energy PA of alcohol or aliphatic amine.