The complete general harmonic force field of methyl flouride was recalculated using the most recent literature frequency, Coriolis ζ, and centrifugal distortion data for 12CH3F, 13CH3F, 12CD3F, 12CHD2F and 12CH2DF. The anharmonic corrections applied to the observed frequency data and the adopted molecular geometry are considered to be more realistic than those used hitherto. There is excellent overall agreement between the fitted force constants and the highest quality ab initio force field currently available.
Bibliographical noteFunding Information:
The authors thank the Carnegie Trust for the Universities of Scotland for support of this work via the award of a studentship to M.M.L. They express their thanks to W. Schneider and W. Thiel (Universittit GH Wuppertal), D. Luckhaus and M. Quack (Laboratorium fur Physikalische Chemie, ETH Zurich) and S. Seeger and P. Botschwina (Institut fur Physikalische Chemie der Universitlt Gottingen) for making available to them results prior to publication.