A pyrrolidino[60]fullerene 1 with pyrrolidine group was synthesized and cha
racterized. The UV-Vis spectra showed that the blue shift of absorption pea
ks was first observed when strong organic acids such as p-toluene sulfonic
or trifluoroacetic acid were added to the solution of pyrrolidino[60]fuller
ene 1 in dichloromethane. The results indicated that the pyrrolidino[60]ful
lerene derivatives without pyrrolidine group also possess the same phenomen
on. Experiments and computation with the MOPAC 7.0 semi-empirical PM3 metho
d demonstrated the reason that some energy gaps on [60]fullerene skeleton w
ere increased because electronic charges on [60]fullerene framework transfe
rred to pyrrolidine ring when strong organic acids were added into pyrrolid
ino[60]fullerene derivatives' solution; as the result, the complexes could
be formed and some absorption wavelengths blue shifted in the UV-Vis spectr
um.