The chlorine nuclear quadrupole coupling tensor in chlorotrifluoroethylene

The 273 hyperfine components from 56 rotational transitions of chlorotrifluoroethylene were measured with a Fourier transform microwave spectrometer. A global least-squares fit was made to the rotational constants, quartic distortion constants, and 35Cl quadrupole coupling constants; the RMS deviation of the fit was 1.6 kHz. It is shown that such high-resolution measurements enable [chi]ab to be determined without the near degeneracies usually necessary with less precise data. The principle tensor quadrupole coupling constants are x[chi]zz = -77.46(10), xxx = 38.85(10), and [chi]yy = xcc = 38.614(3) MHz. The values are comparable to other vinyl chlorides, removing some anomalies from previous studies.Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/27550/1/0000594.pd