Intramolecular energy redistribution in C60 following high-energy collisions with Li+

Quasiclassical trajectory calculations are used to investigate the dynamics of intramolecular energy redistribution, IVR, following a sudden excitation of a C60 molecule by a high-energy Li+ ion. During the collisions, ∼6 and ∼14 eV of translational energy were transferred to the C60 and converted to internal energy. Only four normal modes, identified by fast Fourier transforms, out of the available 174 modes, were excited and participated in the initial phase of IVR. It took 60 fs for the excitation to move from the front to the back of the molecule. Total relaxation was obtained, however, only after few ps.