Methyl rotation in acetamide: the transition from quantum mechanical tunneling to classical reorientation studied by inelastic neutron scattering

Quasielastic and inelastic incoherent neutron scattering has been used to study in detail the transition from quantum mechanical tunneling motion to classical reorientation of the methyl groups in rhombohedral acetamide CH₃CONH₂. The temperature dependence of the low temperature quasielastic and inelastic scattering due toE^aE^b and AE transitions of the tunneling methyl groups has been investigated with eV resolution and — together with the higher temperature quasielastic scattering-compared with theoretical predictions. Microscopic theories are capable to describe most of the experimental observations at low temperatures. A heuristic theoretical approach accounts well for the high temperature results.