Methyl halides are the most simple molecules containing methyl groups. Beside of hydrogen and carbon with their well established interaction potentials methyl halides contain just one additional other atom. This offers the possibility to test actually used parametrizations of interaction potentials between hydrocarbons and halide atoms. Their reliability is judged on the basis of a comparison of the calculated lattice dynamics and methyl rotational tunneling based on the low temperature crystal structure with inelastic neutron scattering experiments.

F&E-Nr: 23.10.5