GENETIC-RELATIONSHIP BETWEEN INTRINSIC RAMAN AND INFRARED FUNDAMENTALVIBRATIONS OF THE C-60 AND C-70 FULLERENES

High-resolution FT-Raman spectra including solution spectra with polar ization measurements, as well as IR spectra of highly purified and ana lyzed C-60 and C-70 samples were recorded. Semi-empirical Parametric M ethod 3 (PM3) calculations of all C-60 and C-70 vibrational frequencie s were performed. Based on all experimental spectroscopic results, sel ection rules, PM3 results and computer visualized normal modes of vibr ation, a correlation, in the sense of a genetic relationship, between C-60 and C-70 vibrations is developed. For the intrinsic C-60 vibratio ns only one H-g mode remains to be assigned tentatively. A complete as signment for all intrinsic C-70 frequencies is proposed. With quite a few exceptions, caused by peculiarities of vibrations of the C-60 and C-70 cluster molecules, observed and calculated vibrational frequencie s correlate very well. It is concluded that all cluster vibrations can not be modeled uniformly.