Abstract
The scheme, developed within the framework of the π-electron approximation, of the quantum-chemical description of recyclization reactions in the case of the isomerization of benzyl and methylenenaphthyl cations to tropylium ions and their benzo derivatives is extended to rearrangements with ring expansions. The effect of aza substitution on these recrystallizations is examined on the basis of the bonded variant of perturbation theory. The results of the calculations are in good agreement with the mass-spectrometric data.
Published Version
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