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Title: C{sub 60}: Sphere or polyhedron?

Journal Article · · Journal of the American Chemical Society
DOI:https://doi.org/10.1021/ja9637659· OSTI ID:466305
 [1]
  1. Bell Labs., Murray Hill, NJ (United States)

In the original publication on the subject, C{sub 60} was depicted with the aid of a soccer ball, but this representation soon gave way to the familiar line drawing of chemical bonds between nucleii. To a large extent the dichotomy in the representation of the fullerenes remains today, and it is the purpose of this paper to pose and address the question that appears in the title. Of course, in reality the answer is well-known, and neither the sphere nor the polyhedron represent C{sub 60}, which like other molecules exists as a collection of nuclei with an associated distribution of electron density. Nevertheless, it is of interest to consider which of these conventional representations is most relevant for the fullerenes and in particular the language most appropriate to the description of the shape of these molecules and the geometry of the carbon atoms. The analysis presented here shows that topology of the molecule is paramount, and hence, C{sub 60} (and the fullerenes) are best modeled as polyhedra. 16 refs., 3 figs.

OSTI ID:
466305
Journal Information:
Journal of the American Chemical Society, Vol. 119, Issue 7; Other Information: PBD: 19 Feb 1997
Country of Publication:
United States
Language:
English

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