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Electronic structure and bonding in icosahedral C60

✍ Scribed by R.C. Haddon; L.E. Brus; Krishnan Raghavachari

Publisher: Elsevier Science
Year: 1986
Tongue: English
Weight: 744 KB
Volume: 125
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(86)87079-8

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✦ Synopsis

The Hiickel molecular orbital theory for non-planar conjugated organic molecules has been applied to study the electronic structure and properties of the proposed icosabedral geometry of C,. The results support the suggestion that C, may be the first example of a spherical aromatic molecule. The molecule is calculated to have a stable closed shell sit&et ground electronic state.

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