The microwave spectrum and quadrupole coupling constants of cis-2-chlorophenol

The rotational spectrum of cis-2-chlorophenol was observed from 5 to 12 GHz by molecular beam Fourier transform microwave spectrometer (MR-FTMW). The rotational and quadrupole coupling constants for the Cl-35 of the molecule were determined: A = 2985.4479(22) MHz, B = 1549.8591(3) MHz, C = 1020.1915(1) MHz, chi(aa) = -68.2429(83) MHz, chi(-) = -0.922(20) MHz, chi(ab) = - 11.4(19) MHz. The quadrupole coupling constants of the chlorine nuclei of cis-2-chlorophenol were nearly equal to that of the chlorobenzenes. We concluded that the electric field gradient of the chlorine atom in cis-2-chlorophenol is similar to that of other chlorobenzenes, although the suggestion of intramolecular hydrogen bonding. (C) 2002 Elsevier Science (USA).