Molecular vibrational modes of C60 and C70 via finite element method

Molecular vibration spectra are of great significance in the study of molecular structures and characters. A widely-used analytical method of structural mechanics, finite element method, is imported into the domain of micro-scaled molecular spectra. The vibrational modes of fullerenes C60 and C70 are calculated depending on uniform carbon–carbon bonding elements, each of which has three force constants that are determined by fitting the C60 Raman spectra experimental data and one ratio factor which is the bond lengths ratio between the single and double bonds. The computational result shows reasonable agreement with both calculated and experimental results published before.