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Electronic structure of C−70

✍ Scribed by Kazuyoshi Tanaka; Mayumi Okada; Kenji Okahara; Tokio Yamabe

Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
330 KB
Volume
202
Category
Article
ISSN
0009-2614

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✦ Synopsis

Energetically optimized structure of Cg has been obtained by means of the semi-empirical (MIND0/3) MO calculation. A C, molecule has the same symmetry (DSh) as CT0 but with a slightly deformed geometry. The charge and the spin distribution shows a definite difference from that of C,g,. Such feature strongly suggests the different behaviour in electrically conductive and magnetic properties between C, and C, systems.

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