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Two icosahedral structures for the C60 cluster

✍ Scribed by Tai-Ichi Shibuya; Masaaki Yoshitani

Publisher: Elsevier Science
Year: 1987
Tongue: English
Weight: 374 KB
Volume: 137
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(87)80295-6

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✦ Synopsis

Two icosahedral structures, a truncated icosahedron and a truncated dodecahedron, have been examined for the CGO cluster.

Optimized geometries by INDO calculations are: in the former, 1.449 A (for pentagonal edges) and 1.397 A; in the latter, 1.41 A (for triangular edges) and 1.345 A. At these geometries, HOMO-LUMO gaps are 9.23 and 8.86 eV, respectively.

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