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The electronic structures of 17 perchlorofluoroolefins and perfluoroolefins were calculatedusing the MNDO method.Based on these calculations combined with the perturbation theory,a goodstructure-reactivity relationship of perchlorofluoroolefins has been established.In the case of internal ole-fins,the direction of nucleophilic attack is governed not only by the perturbation energy of the groundstate,but also by the stability of the anionic intermediate and the activation energy of the reaction.
The electronic structures of 17 perchlorofluoroolefins and perfluoroolefins were calculated using the MNDO method. Based on these calculations combined with the perturbation theory, a goodstructure-reactivity relationship of perchlorofluoroolefins has been established.In the case of internal ole-fins, the direction of nucleophilic attack is governed not only by the perturbation energy of the groundstate, but also by the stability of the anionic intermediate and the activation energy of the reaction.