Pauling bond orders in coronoid hydrocarbons: A general solution

Autor: Brunvoll, Jon, Cyvin, BjØrg N., Cyvin, Sven J.
Zdroj: Structural Chemistry; April 1992, Vol. 3 Issue: 2 p103-111, 9p
Abstrakt: Benzenoid and coronoid systems are considered. A bond order is defined in terms of the elements of the inverse of a skew-symmetric adjacency matrix. It is conjectured that it is identical with the Pauling bond order. A computer program was designed for computing Pauling bond orders of Kekuléan coronoids in general. Numerical examples are given. The skew-symmetric adjacency matrix was exploited for recognition of essentially disconnected coronoid systems. The 29 smallest essentially disconnected coronoids with the phenalene hole are depicted.
Databáze: Supplemental Index