Abstract
Abstract The ionization potentials of the fluorosubstituted derivatives of ethylene, trans-1,3-butadiene, and benzene were calculated by using the modified CNDO/2 method. In agreement with the available experimental facts, the ionization potentials due to the π-electron were predicted to change little on fluorination, while those due to the σ-electron were predicted to suffer a more or less large change on fluorination. An explanation for this fact, called the perfluoro effect, can be given by a simple perturbational treatment.
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