利用MNDO半经验量化方法对一系列氟取代烯烃进行了计算,并用广义微扰理论对计算结果进行了处理,发现该类烯烃与自由基加成反应的活化能与相应反应的二级微扰能之间存在着良好的线性关系,同时对影响反应活性的一些因素作了初步的探讨. A series of fluoro-substituted olefins were calculated by semi-empirical MNDO method and the results were processed by the generalized perturbation theory. It was found that the activation energies of the addition reaction of these olefins with free radicals and the second-order perturbation energy There is a good linear relationship between the same time, some of the factors that affect the reaction activity made a preliminary discussion.