Infrared Spectrum and Force Constants in CH3CD3

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Abstract
The gas‐phase infrared spectrum of CH3CD3 has been observed under moderately high resolution. Three of the E fundamentals were sufficiently resolved so that a clear‐cut choice of the RQ0 transition was possible. Band centers were obtained for all fundamentals, and combinations and overtones below 3000 cm−1 were also measured and assigned. Experimental Coriolis zetas were deduced from Q branch spacings in four of the E fundamentals. Theoretical values of the vibration frequencies and Coriolis zetas were computed from three different potential functions. The constrained hybrid orbital force field of Duncan was shown to agree best with experiment.