Electronic Structures and Reactivities of Aliphatic Small-Membered-Ring Compounds. I

Abstract

Extended LCAO MO investigations into the physico-chemical properties of cycloalkanes and their derivatives are carried out. The bond natures of C–C and C–H in cycloalkanes, the electronic distributions of the lowest vacant orbital, the electron-attracting powers of the ring, and the relative reactivity of the ring cleavage are successfully explained. Further, their ionization potentials and electron affinities are discussed. In addition, the electronic distributions on the equatorial and axial forms of monosubstituted cyclobutane and cyclohexane are made explicit.