THE DETERMINATION OF THE COMPLETE CHLORINE NUCLEAR QUADRUPOLE COUPLING TENSOR IN CHLOROTRIFLUOROETHYLENE

Author Institution: Department of Chemistry and Biochemistry, Southern Illinois University; Department of Chemistry, University of British Columbia; Department of Chemistry, University of MichiganTwo different rotational assignments have been reported for $C_{2}F_{3}Cl$. The spectrum has been reexamined using a FTMW spectrometer, 255 components from 51 transitions were measured to a precision of a few KHz. The quadrupole coupling constants were evaluated by least squares fits using the exact quadrupole Hamiltonian. The fitting program simultaneously determined the rotational and centrifugal distortion constants. The calculated rms deviation of the fit was comparable to the measurement errors. It is noteworthy that the extensive and precise data set leads to a determination of Xab even when transitions likely to be perturbed by near degeneracies are left out of the fit. The results will be compared with the previous reports