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Analysis of the v 6 band of carbonyl fluoride


, : Analysis of the v 6 band of carbonyl fluoride. Journal of Molecular Spectroscopy 123(2): 255-266

The vibration-rotation spectrum of the .nu.6 fundamental band of carbonyl fluoride (COF2) has been recorded at room temperature and 0.005 cm-1 resolution, using a Fourier transform spectrometer. Although the strong Q branch at 774 cm-1 is only partially resolved in the spectrum, most of the K structure of various J subgroups in the P and R branches has been fully resolved. More than 1500 transitions belonging to J values up to 40 have been assigned and simultaneously fitted with the microwave frequencies reported by J. H. Carpenter [J. Mol. Spectrosc. 50, 182-201 (1974)] with a standard deviation of 0.0006 cm-1. By incorporating quartic and sextic centrifugal distortion coefficients in Waston's reduced Hamiltonian in the Ir representation, upper state rotational constants A, B, and C have been determined to an accuracy better than 10-5 cm-1. Ground state rotational and fourth order centrifugal distortion constants were constrained in the analysis to the values reported by W. Lewis-Bevan et al.

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