Mathematics of Periodic Tables for Benzenoid Hydrocarbons.

Research paper by Jerry Ray JR Dias

Indexed on: 01 Mar '07Published on: 01 Mar '07Published in: Journal of Chemical Information and Modeling


The upper and lower bounds for invariants of polyhex systems based on the Harary and Harborth inequalities are studied. It is shown that these invariants are uniquely correlated by the Periodic Table for Benzenoid Hydrocarbons. A modified periodic table for total resonant sextet (TRS) benzenoids based on the invariants of Ds and r(empty) is presented; Ds is the number of disconnections among the empty rings for fused TRS benzenoid hydrocarbons. This work represents a contribution toward deciphering the topological information content of benzenoid formulas.