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Totally Symmetric Kekule Structures in Fullerene Graphs with Ten or More Symmetries

par Bogaerts, Mathieu ;Mazzuoccolo, Giuseppe;Rinaldi, Gloria
Référence Match
Publication Publié, 2012

Article révisé par les pairs

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Résumé :

Graph theoretic fullerenes are designed to model large carbon molecules: each vertex represents a carbon atom and the edges represent chemical bonds. A totally symmetric Kekulé structure in a fullerene is a set of independent edges which is fixed by all symmetries of the fullerene. It was suggested in a paper by S. J. Austin, J. Baker, P. W. Fowler, D. E. Manolopoulos and in a paper by K. M. Rogers and P. W. Fowler that molecules with totally symmetric Kekulé structures could have special physical and chemical properties. Starting from a catalog given by J.E.Graver, we study all graph theoretic fullerenes with at least ten symmetries and we establish exactly which of them have at least one totally symmetric Kekulé structure.