THEORY OF SHIFTS OF VIBRATION-ROTATION LINES OF DIATOMIC MOLECULES IN NOBLE GAS MATRICES. INTERMOLECULAR FORCES IN CRYSTALS.
Technical (scientific) note,
WEIZMANN INST OF SCIENCE REHOVOTH (ISRAEL)
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It is shown that the observed shift of infrared lines of diatomic molecules trapped in noble gas crystals can be considered to be made up of a vibrational shift of the band center with a superimposed rotational shift dependent on the rotational quantum number J. These shifts were studied by means of a detailed analysis of the molecular motion. Shifts of HC1, DC1, HBr, and CO in Ar, Kr, and Xe matrices were obtained. Rotational shifts are interpreted by assuming that the trapped molecule is free to rotate about a point which does not coincide with the molecular center of mass. The resulting coupling between the rotational motion of the molecule and its constrained translational motion in the lattice is treated as a perturbation. The relation between this theory and the crystal field theory is discussed.
- Atomic and Molecular Physics and Spectroscopy