Planar aromaticity of D-Nh-symmetrical systems as a perturbed two-dimensional (2D) rigid rotor

摘要

Energy levels for D-Nh-symmetrical cyclic polyenes with planar aromaticity were obtained using two-dimensional (2D) rigid rotor as the zeroth approximation. The addition of nuclei was simulated by the cosine-type potential and treated at the first-order perturbation theory. The result is qualitatively equivalent to that obtained using Huckel's molecular orbital theory. As an addition, the energetic shift between sigma and pi orbitals is obtained using the model of electron oscillating around the center of a positively charged ring.