Frequency Spectrum of Hydrogenous Molecular Solids by Inelastic Neutron Scattering. Hexagonal H2O Ice

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Abstract
A simple method of relating the scattered neutron energy distribution to the molecular frequency spectrum in hydrogenous solids is given. The method is approximate because of the neglect of translation‐rotation couplings, but should be of practical interest for systems where translational and librational frequencies do not appreciably overlap. The approach is applied to cold‐neutron‐scattering data from hexagonal ice at 150°K. The resulting thermodynamic frequency distribution is used to compute moments, specific heat, and root‐mean‐square amplitude of vibrations. Comparison is made with optical, thermodynamic, x‐ray, and neutron measurements.