Synthesis of 2-（4，5-dimercapto methyl-1，3-dithioleyl）-3，4-［60］Fullerene Pyrrolidine and Its Theoretical Studies of the Electronic Spectra

Being an electron deficient polyene，［60］Fullerene（C60）is prone to radical and nucleophilic addition reactions as well as to cycloadditions. Various［2+n］cycloaddition reactions show considerable promise for functionalization of the fullerene sphere，the reactions with n=1，2，3 and 4 being most typical. Among the［4+2］，［3+2］，［2+2］and［2+1］cycloaddition reactions，the［3 + 2］addition has been widely studied. 1，3-Dipolar cycloaddition of azomethine ylide prepared via the reaction between amino acetic acid and 4，5-dimercapto methyl-1，3-dithioleyl（DMIT）to C60 rises to novel C60 pyrrolidine derivative C66H9NS4 . The molecular structure is identified and characterized by FTIR，UV-Vis，H-NMR and elementary analysis. The electronic spectrum of the title compound is studied by using INDO/ S method on the basis of the optimized geometrics with B3LYP / 6-31G（d）method. It is shown that the exception of the absorption is beyond 438. 9 nm. The calculated results are essentially consistent with experimental values.