MICROWAVE FOURIER TRANSFORM SPECTROSCOPY OF SULFURYL CHLORIDE FLUORIDE, $SO_{2}CIF$: STRUCTURE, HYPERFINE CONSTANTS, AND HARMONIC FORCE FIELD

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1994

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Ohio State University

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The pure rotational spectrum of sulfuryl chloride fluoride. SO2CIF: has been investigated in the frequency range 5.6 - 24.0 GHz using a pulsed molecular-beam microwave Fourier transform spectrometer. Between 48 and 150 lines of 8 to 25 rotational transitions have been observed for the six isotopomers SO2CIF,SO237CIF,34SO237CIF,34SO237CIF,SO18OCIF, and SO18O37CIF (unlabeled atoms indicate 16O,19F,32Sand35Cl)) in natural isotopic abundance. The rotational and quartic centrifugal distortion constants have been determined. r0rΔp, and r8-type structural parameters have been evaluated. A harmonic force field has been calculated in order to derive ground stale average and estimated equilibrium bond lengths. Chlorine and fluorine hypertine structures have been resolved, allowing quadrupole coupling (including χbc for the isotopomers containing 18O) and spin-rotation constants to be determined. Variations of the chlorine quadrupole coupling constants with different isotopomers have allowed the quadrupole tensor to be diagonalized, and indicate χzz to coincide with the SCI band.

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Author Institution: Department of Chemistry, The University of British Columbia

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