Calculation of the cubic symmetry force constants of methyl bromide and methyl chloride |
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Authors: | Shigeo Kondo Yoshinori Koga Taisuke Nakanaga Shinnosuke Saëki |
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Institution: | National Chemical Laboratory for Industry, Tsukuba Research Center, Yatabe, Ibaraki 305 Japan |
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Abstract: | The cubic symmetry force constants have been calculated for methyl bromide and methyl chloride through the method developed by Hoy et al. (Mol. Phys. 24, 1265–1290 (1972)). The spectroscopic constants recently reported in the literature have been utilized for the present analysis. Out of a total of 38 independent cubic force constants, 6 and 10 constants were constrained to zero for a methyl bromide and methyl chloride, respectively, in which a diagonal force constant of F666 was included for both molecules. However, it is noted that those force constants which are only concerned with the A1 symmetry coordinates have been determined independent of the constraint for both of these molecules. |
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