ON MOLECULES HAVING IDENTICAL TOPOLOGICAL SPECTRA
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Date
1974
Authors
Zivkovic, T.
Trinajstic, N.
Randic, M.
Journal Title
Journal ISSN
Volume Title
Publisher
Ohio State University
Abstract
Conjugated molecules having a benzene ring may have within a simple HMO method identical theoretical spectra. A pair of such isospectral molecules are 1,4-divinyl benzene and 2-phenyl butadiene. The origin of the coincidence can be traced to properties of the corresponding molecular graphs and the equivalence of the H\”uckel Hamiltonian and the topological matrix. Structural features which lead to identical topological spectra in conjugated molecules having a benzene ring are considered. A procedure for constructing a pair of isospectral systems is given. Although the topological spectra as such are of limited use, recognizing the possibility of having isospectral pairs is of interest and may stimulate a closer examination of the actual differences between the physical and chemical properties of such molecules.
Description
Author Institution: Institute Rudjer Bo\u{s}kovi\'c; Department of Chemistry, State University of New York