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.

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

Mazzuoccolo, Giuseppe;
2013-01-01

Abstract

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.
Fullerene graphs, kekulè structures, symmetries
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11562/927865
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