DYNAMICAL PROPERTIES AND RELATED OPTICAL-SPECTRA OF FULLERENES - THE BOND-CHARGE-MODEL DESCRIPTION

We present a study of the Raman and ir spectra of the sp2-bonded carbo n clusters C60 and C70, performed in the framework of a three-paramete r bond-charge model based on a transferable inter-atomic potential. A consistent calculation of the relative amplitudes and of the static po larizability has been performed with only one additional parameter bes ides those entering the dynamics. The calculated spectra are compared with the existing experimental data for C60 and C70. Very good agreeme nt is found for the Raman spectrum of both clusters, whereas the agree ment for ir spectra is less satisfactory.