Theoretical study on resonance Raman scattering for C60 molecules in benzene solutions

Resonance Raman spectra for C60 molecules in vacuum and benzene solutions have been studied based on density functional theory calculations under Ih symmetry. The displacement parameters of the potential energy minimum along normal coordinates between the ground and excited states for totally symmetric modes are determined, which are small. The solvent effect is found to have a slight influence on Raman intensities. Also, resonance Raman excitation profiles have been investigated.