Lattice vibrations in chlorobenzenes: Experimental dispersion curves for β-paradichlorobenzene by neutron scattering

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Abstract
Lattice vibrational dispersion curves for the ``intermolecular'' modes in the triclinic, one molecule per unit cell β phase of p‐C6D4Cl2 and p‐C6H4Cl2 have been obtained by inelastic neutron scattering. The deuterated sample was investigated at 295 and at 90°K and a linear extrapolation to 0°K was applied in order to correct for anharmonic effects. Calculations based on the atom‐atom model for van der Waals' interaction and on general potential parameters for the aromatic compounds agree reasonably well with the experimental observations. There is no substantial improvement in fit obtained either by consideration of electrostatic forces or by further anisotropy in the dispersion forces not described in the atom‐atom model. Anharmonic effects are shown to be large, but the dominant features in the temperature variation of frequencies are describable by a quasiharmonic model.