MICROWAVE-SPECTRUM OF SULFURYL CHLORIDE FLUORIDE, SO2CLF - STRUCTURE,HYPERFINE CONSTANTS AND HARMONIC FORCE-FIELD

The pure rotational spectrum of sulfuryl chloride fluoride, SO2CIF, ha s been investigated in the frequency range 5.6-24.0 GHz using a pulsed molecular beam microwave Fourier-transform spectrometer. Between 48 a nd 170 lines of 8 to 26 rotational transitions have been observed for the six isotopomers SO2CIF, SO2 (CIF)-C-37, (SO2CIF)-S-34, (SO2)-S-34 (CIF)-C-37, SO (OCIF)-O-18 and (SOOCIF)-O-18-C-37 (unlabelled atoms in dicate O-16, F-19, S-32 and (CI)-C-35) in natural isotopic abundance. The rotational and quartic centrifugal distortion constants have been determined, r(O), r(Delta P) and r(S)-type structural parameters have been evaluated. A harmonic force field has been calculated to derive g round-state average and estimated equilibrium geometries. The descript ion of the normal modes in terms of internal coordinates is discussed. Chlorine and fluorine hyperfine structures have been resolved, allowi ng quadrupole coupling (including chi(bc) for the isotopomers containi ng O-18) and spin-rotation constants to be determined. Variations in t he chlorine quadrupole coupling constants with different isotopomers h ave allowed the CI quadrupole tenser to be diagonalized and indicate t hat its z-axis coincides with the SCI bond.