The Synthesis and Theoretical Research of C_(60)O_n (n=2,3)

The reaction of C_(60) with ozone in toluene was taken out to produce C_(60)O_n. Two C_(60)O_2 isomers (called C_(60)O_2(I)and C_(60)O_2(II)) and two C_(60)O_3 isomers (called C_(60)O_3(I)and C_(60)O_3(II)) were detected by HPLC. And their UV-vis spectra were also obtained. In order to confirm their structures, four most possible C_(60)O_2 isomers (called A, B, C, and D thereafter) and nine C_(60)O_3 isomers (called A-I respectively) were selected based on the literatures and their energy, dipole moments, UV-vis spectra were calculated. The calculated results of isomer B and C of C_(60)O_2 and the isomer A and C of C_(60)O_3 make good agreement with our experiments. It is concluded that C_(60)O_2(I)and C_(60)O_2(II)correspond to C and B of C_(60)O_2 and that C_(60)O_3(I)and C_(60)O_3(II)correspond to A and C of C_(60)O_3 .