DOI: 10.1007/s10910-006-9074-0
Journal of Mathematical Chemistry, Vol. 41, No. 3, April 2007 (© 2006)
Algebraic structure count of some cyclic
hexagonal-square chains on the M¨ obius strip
Olga Bodroˇ za-Panti´ c
Department of Mathematics and Informatics, Trg D. Obradovi ´ ca 4, University of Novi Sad, 21000
Novi Sad, Serbia
E-mail: bodroza@im.ns.ac.yu
Received 1 November 2005; revised 10 December 2005
The concept of ASC (Algebraic structure count) is introduced into theoretical
organic chemistry by Wilcox as the difference between the number of so-called “even”
and “odd” Kekul´ e structures of a conjugated molecule. Precisely, algebraic structure
count (ASC-value) of the bipartite graph G corresponding to the skeleton of a con-
jugated hydrocarbon is defined by ASC{G}
def
=
| det A | where A is the adjacency
matrix of G. The determination of algebraic structure count of (bipartite) cyclic hex-
agonal-square chains in the the class of plane such graphs is known. In this paper we
expand these considerations on the non-plane class. An explicit combinatorial formula
for ASC is deduced in the special case when all hexagonal fragments are isomorphic.
KEY WORDS: algebraic structure count, Kekul´ e structure
AMS subject classification (2001): 05C70, 05C50, 05B50, 05A15
1. Introduction
The algebraic structure count (ASC-value) of a bipartite graph G is defined by
ASC{G}
def
=
| det A |,
where A is the adjacency matrix of G.
The thermodynamic stability of an alternant hydrocarbon is related to the
ASC-value for the bipartite graph which represents its skeleton. The basic appli-
cation of ASC is in the following. Among two isomeric conjugated hydrocarbons
(whose related graphs have an equal number of vertices and an equal number of
edges), the one having greater ASC will be more stable. In particular, if ASC = 0,
then the respective hydrocarbon is extremely reactive and usually does not exist
[4, 5].
In the case of the bipartite plane graphs containing only circuits of the
length of the form 4s + 2 (s = 1, 2, . . .) (benzenoid hydrocarbons) all perfect
283
0259-9791/07/0400-0283/0 © 2006 Springer Science+Business Media, Inc.