Original scientific paper

Herndon' s Structure-Resonance Theory. On the Valence Structure Count for Conjugated Radical Cations

M. Randić ; Ames Laboratory-DOE, Iowa State University, Ames, Iowa 50011, Department of Mathematics, Drake University, Des Moines, Iowa 50311, U.S.A.
B. Ruščić ; The Rugjer Boskovic Institute, P.O.B. 1016, 41001 Zagreb, Croatia, Yugoslavia
N. Trinajstić ; The Rugjer Boskovic Institute, P.O.B. 1016, 41001 Zagreb, Croatia, Yugoslavia

Abstract

Enumeration of valence structures for conjugated radical
cations is of interest in estimating the first ionization potentials
of conjugated hydrocarbons. Alternative routes for enumeration
are reviewed and a novel method, based on the properties of the
acyclic polynomials of conjugated structures, is outlined. The
method is illustrated for several molecules and results reported
for a number of conjugated systems involving either 14 or less
carbon atoms.

Keywords

Hrčak ID:

194318

URI

https://hrcak.srce.hr/194318

Publication date:

31.12.1981.

Visits: 839 *