The anharmonic force field of arsenic trifluoride from the millimetre wave spectra of vibrationally excited states

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Abstract
The millimetre wave rotational spectra of AsF3 have been recorded for all four fundamental vibrationally excited states. The analysis of these states has yielded values for the coriolis constants, ζ33 c = 0·2434(11), ζ44 c = -0·5308(12). Extrapolation has also yielded equilibrium values for the centrifugal distortion constants, DJ e = 4·554(6) kHz, DJK e = -5·861(24) kHz. These data have been used to obtain the harmonic force field. From the four observed α s B and the qt + constants, some estimate has been made of the anharmonic force field. It has been used to obtain C e from the observed C 3. This, together with the observed B e, yields the equilibrium structure r e = r e = 1·7041(10) Å, αe = 95° 46′ (7′).