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Analysis of the magic numbers observed for metallocarbohedrane clusters

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Zeitschrift für Physik D Atoms, Molecules and Clusters

Abstract

A local-density approximation calculation is performed on various M8C12 structures, including Ti8C12, V8C12, VTi7C12 and ScTi7C12. It is found that the magic numbers observed during the experimental discovery of these species does not depend on the details of the electronic structure, but rather can be described as a chemical system derived from ethylene.

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Authors and Affiliations

  1. Department of Physics, University of Oulu, Linnanmaa, SF-90570, Oulu, Finland

    Tapio T. Rantala, Daniel A. Jelski, James R. Bowser, Xinfu Xia & Thomas F. George

  2. Department of Chemistry, State University of New York, College at Fredonia, 14063, Fredonia, NY, USA

    Daniel A. Jelski & James R. Bowser

  3. Department of Chemistry, State University of New York at Buffalo, 14214, Buffalo, NY, USA

    Xinfu Xia

  4. Departments of Chemistry and Physics, Washington State University, 99164-1046, Pullman, WA, USA

    Thomas F. George

Authors
  1. Tapio T. Rantala
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  2. Daniel A. Jelski
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  3. James R. Bowser
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  4. Xinfu Xia
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  5. Thomas F. George
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Rantala, T.T., Jelski, D.A., Bowser, J.R. et al. Analysis of the magic numbers observed for metallocarbohedrane clusters. Z Phys D - Atoms, Molecules and Clusters 26 (Suppl 1), 255–257 (1993). https://doi.org/10.1007/BF01425682

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  • DOI: https://doi.org/10.1007/BF01425682

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