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Controlling the Reactivity of C60: A Theoretical Analysis of the Electronic States Modulated by Substitutional Chemistry

Published online by Cambridge University Press:  15 February 2011

S.-H. Wang ,
M. Kashani  and
S. Jansen
S.-H. Wang
Affiliation:
Department of Chemistry, Temple University, Phila. PA, 19122
M. Kashani
Affiliation:
Department of Chemistry, Temple University, Phila. PA, 19122
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Abstract

The availability of large amounts of Buckminsterfullerene has allowed a plethora of experimental investigations on fullerenes. The chemical and physical studies have focussed on synthesis, isomerism, magnetism, spectroscopy and high temperature superconductivity in doped materials. The chemical reactivities of fullerenes have been defined and most of the studies are dominated by C60 isomers. Some of the observed activities of fullerenes parlled those of alkeies. In our previous studies, the reactivity of the 6-6' bond with respect to eco- addition was described. Current studies have exploited the olefinic nature of the 6-6' bond and analyzed the effect of the addition on cluster stability and frontier character. In this work, we describe the mechanisms of simple substitution and analyze stability and orbital effects for the addition chemistry of C60 with multiple species. Evolving changes in orbital frontier character are analyzed with respect to site directed chemistry exhibited by C60.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 359: Symposium G – Science and Technology of Fullerene Materials , 1994 , 211
Copyright
Copyright © Materials Research Society 1995

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References

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