65750-29-0Relevant academic research and scientific papers
MICROWAVE SPECTRUM OF DEUTERATED TRANS-3-FLUOROPHENOL
Jaman, A. I.,Chatterjee, N.,Ghosh, D. K.
, p. 17 - 22 (1982)
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, dJ= (7.383 +/- 2.0) x 10-4, dJK= (-13.756 +/- 3.191) x 10-3, dK= (-17.814 +/- 4.298) x 10-3, dWJ= (-4.0 +/- 1.0) x 10-7), dWK= (9.3 +/- 2.2) x 10-6 (in MHz).From a consideration of the rs 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.
