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Symmetry aspects of bonding in carbon clusters: the leapfrog transformation

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Summary

Starting from any fullerene cage ofn carbon atoms it is possible to construct a fullerene cage of 3n atoms with a closed electronic shell. This geometrical ‘leapfrog’ transformation leads to the ‘magic numbers’ 60 + 6k (k=0, 2, 3, ...) for neutral carbon clusters. Symmetry relations are derived for the electronic configurations, vibrational modes and numbers of NMR chemical shifts of these closed-shell clusters. All symmetry-related properties of the leapfrog fullerene follow from those of the parent, without the need for explicit construction of the larger cluster.

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Authors and Affiliations

  1. Department of Chemistry, University of Exeter, Stocker Road, EX4 4QD, Exeter, UK

    P. W. Fowler

  2. Department of Mathematics, St Patrick's College, Maynooth, Co. Kildare, Ireland

    D. B. Redmond

Authors
  1. P. W. Fowler
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  2. D. B. Redmond
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Fowler, P.W., Redmond, D.B. Symmetry aspects of bonding in carbon clusters: the leapfrog transformation. Theoret. Chim. Acta 83, 367–375 (1992). https://doi.org/10.1007/BF01113062

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  • DOI: https://doi.org/10.1007/BF01113062

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