title: Planar aromaticity of DN h-symmetrical systems as a perturbed two-dimensional (2D) rigid rotor.
abstract: Energy levels for DN h-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 Hückel's molecular orbital theory. As an addition, the energetic shift between σ and π orbitals is obtained using the model of electron oscillating around the center of a positively charged ring.
authors: Universität Bielefeld, Lehrstuhl für Anorganische Chemie und Strukturchemie, Universitätsstrasse 25, 33615, Bielefeld, Germany. denis.tikhonov@uni-bielefeld.de.|Department of Physical Chemistry, M. V. Lomonosov Moscow State University, GSP-1, 1-3 Leninskiye Gory, 119991, Moscow, Russia. denis.tikhonov@uni-bielefeld.de.
authors: Denis S
authors: DS
authors: Tikhonov
keywords: Analogy between planar and spherical aromaticity; Energy levels; Perturbation theory; Rigid rotor