High-resolution Fourier-transform infrared spectroscopy of the ν2 fundamental band of thionyl fluoride, SOF2

Abstract

The high-resolution vibration–rotation spectrum of the ν₂ fundamental band of gas-phase thionyl fluoride, SOF₂, has been observed centred at 808 cm⁻¹. Spectra were recorded in absorption using a Fourier-transform spectrometer with the sample of SOF₂ held in a gas cell at a temperature of 294 K. In total, 1929 a- and c-type vibration–rotation transitions of the most abundant isotopomer, ³²S¹⁶OF₂, have been assigned and included in a least-squares fit. The least-squares analysis, performed using a standard semi-rigid rotor Hamiltonian, has yielded precise spectroscopic parameters for the v₂ = 1 level. The analysis confirms the assignment of the band to excitation of the symmetric S–F stretching vibration. Additional, partially resolved features are attributed to the Q-branches of the ν₂ fundamental band of ³⁴S¹⁶OF₂ and of ν₂ difference bands from low-lying excited vibrational levels.