The Microwave Spectrum and Quadrupole Coupling Constants of cis-2-Chlorophenol

Abstract The rotational spectrum of cis -2-chlorophenol was observed from 5 to 12 GHz by molecular beam Fourier transform microwave spectrometer (MB-FTMW). The rotational and quadrupole coupling constants for the 35 Cl of the molecule were determined: A =2985.4479(22) MHz, B =1549.8591(3) MHz, C =1020.1915(1) MHz, χ aa =−68.2429(83) MHz, χ − =−0.922(20) MHz, χ 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.