Bulletin of the Chemical Society of Japan
Online ISSN : 1348-0634
Print ISSN : 0009-2673
ISSN-L : 0009-2673
Crystal Vibrations and Intermodular Interactions of CH3X and CD3X (X=Cl, Br, and I)
Hideo TakeuchiJean-Luc BribesIssei HaradaTakehiko Shimanouchi
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1976 Volume 49 Issue 12 Pages 3483-3492


Normal coordinate treatments of the crystal vibrations of methyl chloride, methyl bromide, methyl iodide, and their perdeuterated analogs have been made. The values of force constants of non-bonded atom interactions have been determined so as to give the best fit to the lattice frequencies and the splitting frequencies of the intramolecular vibrations. It has been found that the dipole-dipole interactions are essential to account for the splittings of some internal modes, but their effects on lattice frequencies are negligible.

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