Tables of the Topological Characteristics of Polyhexes : Condensed Aromatic Hydrocarbons

概要

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Characterization of the honeycomb or polyhex networks is of particular interest, not only from the view points of graph and combinatorial theories, but also from those of chemistry and physics. That is to say, the carbon atom skeleton of a cata-condensed aromatic hydrocarbon molecule is nothing else but a polyhex and the stability of this class of molecules is sensitively dependent on the topology of the polyhex network through the wavemechanics of the π-electron, or free electron, delocalizing over the molecular skeleton. A number of trials have been made to characterize the topology of the molecule and to clarify the relation between the structure and stability. In this paper effort was made to list up as many parameters or indices as possible for characterizing the topology of the polyhex. Polyhexes are classified into catafusene and perifusene according to the structure of the "ring-incidence graph", which is derived from the original graph by connecting the centers of the hexagons ; the ring-incidence graphs of catafusene and perifusene are respectively tree and non-tree.
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