ON THE THEORY OF INTERMOLECULAR AND CRYSTAL FIELD INTERACTIONS IN SOLID HYDROGEN

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1992

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Ohio State University

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High resolution infrared studies of the Q1(0) vibrational transition of D2 impurity in a solid hydrogen matrix and of the rovibrational $W_{1}(0)$ transition in solid $H_{2}$ have revealed a multitude of interesting features, the precise interpretation of which requires the refinement of existing theory.$^{1}$ Analysis of the $Q_{1}$(0) spectrum of $D_{2}$ is based on the J=1 quadrupole-induced dipole moment mechanism analogous to that used for the Q-branch of $H_{2}2^{2}$ Fine structure is interpreted on the basis of a calculation of the crystal field of the J=1 impurity in the presence of a neighboring J=0 $D_{2}$ molecule. The $W_{1}$(0) main feature is accompanied by a large number of satellites due to coupling of the J=6 excitation with J=1 impurities in the lattice. We discuss the fit of the spectrum based on axially symmetric interactions of the J=6/J=1 pair as well as non-axially symmetric interactions resulting from the crystal environment.

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1. J. Van Kranendonk, Solid Hydrogen. 1983 Plenum Press, New York 2. V.F. Sears and J. Van Kranendonk, Canadian Journal of Physics, {\bf 42} , 980 (1964)
Author Institution: Department of Chemistry and Department Astronomy and Astrophysics, The University of Chicago

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