Microwave spectra of phosphoryl trifluoride in vibrationally excited states

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Abstract
The ground-state rotational spectra of 16OPF3 and 18OPF3 have been recorded and analysed to yield a structure and accurate centrifugal distortion constants. The pure rotational spectrum of 16OPF3 has been recorded and analysed for five of the molecule's vibrationally excited states. The analysis of the ν5 = 1 and ν6 = 1 states is discussed in detail and values of ζ55 z and ζ66 z have been obtained. In addition, information is obtained about the elusive A rotational constant for ν6 = 1 due to an accidental near degeneracy which yields the value A ν=4797·86 MHz. Some of the information obtained is used to derive the harmonic force field for the OPF3 molecule. The use of ground-state distortion constants instead of their equilibrium values is discussed.