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Electronic structures of mono-anionized higher fullerenes. C−76, C−78, C−82 and C−84

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

Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
616 KB
Volume
209
Category
Article
ISSN
0009-2614

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✦ Synopsis

The electronic structures of mono-anionized higher fullerenes (C,, C,, C, and C, ) associated with the major experimental product have been investigated bused on their optimized structures employing the semi-empirical (MIND0/3) molecular orbital calculations. Not a very drastic structural change has been observed between the neutral and mono-anionized states except for change in symmetry of Ds,&s,. It has been found that the charge and the spin distributions in these anions are somewhat similar to C% but more dispersive and are quite different from those in C& ' To whom correspondence should be addressed.

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