Abstract
The sub-millimeter/THz spectrum of thionyl fluoride, F2SO (X∼1A′), has been recorded for the first time using direct absorption techniques in the frequency range 286–508 GHz. This work considerably expands the previous measurements for F2SO, which were all below 77 GHz. F2SO was synthesized in the gas phase by the reaction of pure SF6 with residual H2O vapor either in a DC discharge or a heated reaction chamber. Over two-hundred fifty transitions frequencies were recorded for this molecule in the range J = 16 to J = 30, with Kc = 0–28, each with a c-type pattern. The data were analyzed with an asymmetric top Hamiltonian in a combined fit with previous microwave measurements, and highly accurate rotational and centrifugal distortion constants were determined, including sextic distortion terms that were previously undefined. These parameters are the most accurate set of spectroscopic constants to date for F2SO. An rm(1) structure was determined for F2SO, which appears to show less steric hindrance than its chlorine analog, Cl2SO. F2SO is an important degradation product of SF6, and its pure rotational spectrum is of interest for environmental studies.
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