MICROWAVE SPECTRUM OF DEUTERATED TRANS-3-FLUOROPHENOL

Article abstract of DOI:10.1016/0022-2860(82)85228-9

The microwave spectrum of deuterated 3-fluorophenol, 3-FC6H4OD, has been observed in the frequency ranges 12.5-18.0 GHz (KU band) and 21.5-25.0 GHz (K band) in the ground vibrational state at room temperature.Analysis yields three rotational and five quartic centrifugal distortion constants: <*> = 3742.943 +/- 0.029, <*> = 1737.449 +/- 0.017, <*> = 1186.728 +/- 0.016, d_J= (7.383 +/- 2.0) x 10^-4, d_JK= (-13.756 +/- 3.191) x 10^-3, d_K= (-17.814 +/- 4.298) x 10^-3, d_WJ= (-4.0 +/- 1.0) x 10^-7), d_WK= (9.3 +/- 2.2) x 10^-6 (in MHz).From a consideration of the r_s coordinate of the H atom in the OH group, the present analysis leads to the assignment of the observed spectrum to the trans conformer of the molecule.An r₀ structure satisfying the rotational constants of both the parent and the deuterated species is proposed.The small value of the inertia defect, Δ= -0.0368, confirms the planarity of the molecule.