Original scientific paper

Graph Theory and Molecular Orbitals. VIII. Kekule Structures and Permutations

I. Gutman ; Institute, »Ruder Boskovic«, P . 0 . B. 1016, 41001 Zagreb, Croatia, Yugoslavia
N. Trinajstić ; Institute, »Ruder Boskovic«, P . 0 . B. 1016, 41001 Zagreb, Croatia, Yugoslavia

Abstract

The relation between Kekule structures and permutations is
discussed. It is shown that Kekule structures are permutations and
that their number in alternant hydrocarbons is equal to the square
root of the total number of permutations contained in the molecular
graph. As simple special cases of this result the Dewar-Longuet-
Higgins equation2 and the relation between the permanent · of
the adjacency matrix and the number of Kekule structures3 are
obtained. Generalizations for nonalternant hydrocarbons are also given.

Keywords

Hrčak ID:

196998

URI

https://hrcak.srce.hr/196998

Publication date:

15.4.1974.

Visits: 947 *