Inelastic neutron scattering determination of phonon dispersion curves in the molecular crystal <i>s</i> <i>y</i> <i>m</i>-C6F3Cl3

Abstract

Phonon dispersion curves have been obtained along the Δ, Σ, and T directions in a single crystal of sym-C6F3Cl3 at 5 K by inelastic neutron scattering measurements. These have been interpreted within the framework of rigid-molecule lattice dynamics. A model intermolecular potential reproduces the overall behavior, but there remains scope for improvement in the model. Other models based on transferable potentials are found to be less satisfactory.