A. I. Jaman, R. N. Nandi, D. K. Ghosh
Apr 1, 1981
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Influential Citations
13
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Journal
Journal of Molecular Spectroscopy
Abstract
Abstract The rotational spectrum of 3-fluorophenol in the ground vibrational state has been observed in the frequency range 12.5–18.0 GHz and 21.5–25.0 GHz at room temperature. The three rotational constants and five quartic centrifugal distortion constants obtained from the observed spectrum are (in MHz): A = 3748.487 ± 0.034 , B = 1797.713 ± 0.017 , C = 1215.048 ± 0.017 , dJ = (2.257 ± 2.116) × 10−4, dJK = (−10.977 ± 2.059) × 10−3, dK = (−15.005 ± 3.281) × 10−3, dWJ = (−2.0 ± 1.0) × 10−7, dWK = (7.2 ± 1.4) × 10−6. In the present communication only one rotamer has been assigned and the small inertia defect Δ = −0.0121 indicates the planarity of the molecule. A tentative r0-structure which is entirely based on the structural parameters of phenol and fluorinated benzene compounds with a slight modification of the CC bond length and the tilt of the CO bond has been proposed. The proposed structure with the hydrogen atom in the trans position with respect to the fluorine atom, fits the observed rotational constants satisfactorily.