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Algebraic Kakule structures and bond orders in benzenoids

Recently, a new interpretation of the Kekulé structures (KS) in benzenoid systems was proposed. A new quantity, Algebraic Kekulé Structure (AKS) that counts how many  electrons for a given KS belongs to each hexagon has been defined [1]. In this way a possibility to characterize hexagons numerically was offered for the first time. By knowing AKS for all Kekulé structures gives us a chance to define a new, AKS bond order [2]. This new order is compared with the classical Pauling bond order and experimentally measured bond lengths in 12 benzenoid systems. Preliminary results show that both bond orders are approximately of the same quality.

Kekule structures; algabraic structures; geometrical structures; Randić numbers

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