Abstract
High-resolution FT-Raman spectra including solution spectra with polarization measurements, as well as IR spectra of highly purified and analyzed C 60 and C 70 samples were recorded. Semi-empirical Parametric Method 3 (PM3) calculations of all C 60 and C 70 vibrational frequencies were performed. Based on all experimental spectroscopic results, selection rules, PM3 results and computer visualized normal modes of vibration, a correlation, in the sense of a genetic relationship, between C 60 and C 70 vibrations is developed. For the intrinsic C 60 vibrations only one H g mode remains to be assigned tentatively. A complete assignment 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 frequencies correlate very well. It is concluded that all cluster vibrations cannot be modeled uniformly.
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