σ-Electronic Structure in Conjugated Systems

The σ-electronic structures and σ-electron densities of σ skeletons in some conjugated compounds are calculated by a simple LCAOMO method developed by the present authors. The inductive and hyperconjugative effects, dipole moment, proton shift, and so on, are briefly discussed. Agreements of the results with experiments seem to be almost entirely satisfactory. A part of the calculation has been carried out with the KDC–I digital computer of Kyoto University.