Theoretical Study of C sub(60)R sub(n) Addition Pattern and Geometrical Evolution Graph

Maximum adduct number to hex-hex double bond on C sub(60) was analyzed by computer simulation with eight kinds of steric hindrance. In the case of condition that any two addends cannot be in the range of cis-2, there are 136 kinds of derivatives and maximum number of adducts is at most 6. But in the case of condition that any two addends can be in the range of cis-2, there are 2017 kinds of derivatives and maximum number of adducts is up to 10. In the case of condition that any two addends can be in the range of cis-1, there are 17,912,448 kinds of derivative and the count of isomers versus adduct number is possible to approximate to binomial distribution. To derive for all k-adduct isomers all possible k+1 adduct isomers were traced, and their inheritance diagram 'Geometrical Evolution Graph' were obtained. In this paper we propose a new strategy to analyze unknown structure by using this graph.