Microwave spectrum of sulfuryl chloride fluoride, SO2ClF: structure, hyperfine constants and harmonic force field
The pure rotational spectrum of sulfuryl chloride fluoride, SO2ClF, has been investigated in the frequency range 5.6–24.0 GHz using a pulsed molecular beam microwave Fourier-transform spectrometer. Between 48 and 170 lines of 8 to 26 rotational transitions have been observed for the six isotopomers SO2ClF, SO237ClF, 34SO2ClF, 34SO237ClF, SO 18OClF and SO 18O 37ClF (unlabelled atoms indicate 16O, 19F, 32S, and 35Cl) in natural isotopic abundance. The rotational and quartic centrifugal distortion constants have been determined. r0, rΔP and rs-type structural parameters have been evaluated. A harmonic force field has been calculated to derive ground-state average and estimated equilibrium geometries. The description of the normal modes in terms of internal coordinates is discussed. Chlorine and fluorine hyperfine structures have been resolved, allowing quadrupole coupling (including χbc for the isotopomers containing 18O) and spin–rotation constants to be determined. Variations in the chlorine quadrupole coupling constants with different isotopomers have allowed the Cl quadrupole tensor to be diagonalized and indicate that its z-axis coincides with the SCl bond.