Induced Infrared and Raman Intensities in Solid Hydrogen Deuteride.

The present work is concerned with infrared absorption and Raman scattering in solid HD; these are complementary techniques for the study of both molecular structure and molecular interactions in the solid phase. In the infrared part, the induced-dipole components used to calculate the zero-phonon intensities for solid HD differ from those used for the corresponding homonuclear species, i.e. H_2 and D _2. This difference arises from a coordinate transformation from the vector describing the separation between the centers of interaction to the vector describing the separation between the centers of mass. As a consequence of this transformation, transitions having odd DeltaJ equiv J ^' - J values occur, where J is the rotational quantum number. In the Raman part, the scattering efficiencies associated with zero-phonon R (DeltaJ = 1) single transitions and some odd Delta J double transitions are calculated for the first time. In carrying out these calculations, the dipole-induced -dipole (DID) polarizability tensor components for a pair of H_2 molecules are assumed, and the corresponding components for a pair of HD molecules are obtained by the same coordinate transformation as in the infrared case.