The vibrational assignment of sulfuryl fluoride

Breakdown of the reduction of the rovibrational Hamiltonian: The case of S18O2F2

“…At the same time, the ground state microwave spectrum was measured by Fristrom [8]. Later, Lide et al [9,10] reanalyzed the microwave and infrared spectra and were able to identify all infrared-allowed fundamentals. The Raman spectrum was recently measured [11] and the m 8 band has been studied by tunable diode-laser spectroscopy with a resolution of 2 Â 10 À3 cm À1 [12].…”

Vapour phase Raman and infrared spectra of, and vibrational assignments for sulphuryl fluoride; application of the trace scattering method for the assignment of totally symmetric vibrations

“…Some force field calculations have also been made [6,9,101. In particular the only previous vapour-phase Raman study of sulphuryl fluoride indicated the presence of only one band in the 550 cm-I region [2], whereas by gaseous and infrared matrix techniques three bands have been located in this region [7] ; this matter clearly requires re-investigation. All assignments for the four high wavenumber fundamentals (vs(SO) a,, v,(SF) a,, v,(SO) b,, and v,(SF) b,) are in agreement with one another, but those for the low wavenumber fundamentals (<600 cm-') show considerable disagreement.…”

“…Wilson [6] and Comerom [3] [51 ford [7] Raman Microwave Ir(gas) c Derived from a weak band at 720 cm-l, which was assumed to be 2V5. Now known to be due to an impurity.…”

Vibrational spectra of SO2F2 in the condensed states

“…The structural parameters of the S02Fz molecule (S-F= 1.530 A, S-O= 1.405 A, L OSO = 123"58', L IFSF = 96"7', p= 1.1 1 D, and symmetry = C,") are accurately known from electron diffraction [I] and microwave [2][3][4] studies. Liquid sulfuryl fluoride has been investigated by Raman spectroscopy and the spectrum of the gas has also been reported [5, 81.…”

“…Force constant calculations have indicated that the 3 bands in the 545 cm-' region [4] are assignable to the two rocking and to the OSO bending modes, but the exact assignment of each of these bands is still subject to doubt. Force constant calculations have indicated that the 3 bands in the 545 cm-' region [4] are assignable to the two rocking and to the OSO bending modes, but the exact assignment of each of these bands is still subject to doubt.…”