Topological Properties of Benzenoid Systems. IV. On Aihara’s Resonance Energy

Some Observations on the Topological Resonance Energy of Benzenoid Hydrocarbons*

Two empirical rules are formulated for the topological resonance energy (TRE) of benzenoid hydrocarbons: (a) TRE is roughly linear function of the number of Kekule structures, and (b) in a homologous series containing a linear polyacene fragment, TRE is a linear function of the length of this fragment. In certain cases, however, the TRE model leads to incorrect predictions. There exist pairs of...

Topological Properties of Benzenoid Systems. IX *. On the Sextet Polynomial

A number of mathematical relations for the sextet polynomial are derived. A graph has been introduced (the so called C-graph), representing those properties of a benzenoid system which are essential in the sextet theory of Clar. The main structural properties of the C-graph are determined. The obtained results contribute towards a better understanding of the algebraic and combinatorial backgrou...

Topological properties of altan-benzenoid hydrocarbons

The main topological characteristics of altan-benzenoids were established. In particular, it was shown that the perimeter of Kekuléan altan-benzenoids is of size 4k , having a destablizing (anti-aromatic) energy effect, similar to (4k)-annulenes.

Topological Properties of Benzenoid Systems. X*. Note on a Graph-Theoretical Polynomial of Knop and Trinajstic

Graph-topological approach to magnetic properties of benzenoid hydrocarbons.

Application of topological properties and graph theory to benzenoid hydrocarbons allowed us to construct an effective approach interpreting ring current formation in molecules when exposed to an external magnetic field. Transformation of unexcited canonical structures for molecules of 34 benzenoid hydrocarbons into circuit structures and then to directed circuit structures allowed us to define ...