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The electronic transition energies of four alternative C60 molecules (1992)

László, I. ; Udvardi, L.

New York, NY : Wiley-Blackwell

International Journal of Quantum Chemistry 42 (1992), S. 1651-1657

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ISSN: 0020-7608

Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Notes: The low-lying allowed electronic transition energies of four alternative structures to the C60 cage molecule are examined. The bond turning transformation of Stone and Wales is used to generate new C60 structures with the symmetries C2v, D2h, and D6h. We have found that the C60 is indeed a truncated icosahedron as originally proposed, but the production of other alternative structures in specific experimental conditions is not excluded.

Additional Material: 3 Ill.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/qua.560420604

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