Microwave, Submillimeter-Wave, and High-Resolution FTIR Study of SO2F2 in the ν8 State

Rotational spectra of isotopic species of SO2F2: experimental and ab initio structures

“…We measured and analyzed the high-resolution infrared spectra of the m 8 ðb 2 ) band centered at 887.2 cm À1 [7] and of the m 3 ða 1 Þ=m 7 ðb 1 Þ=m 9 ðb 2 ) triad around 550 cm À1 [6]. This triad was unambiguously assigned thanks to a scaled ab initio harmonic force field.…”

Symmetry-adapted tensorial formalism to model rovibrational and rovibronic spectra of molecules pertaining to various point groups

“…XY 2 Z 2 quasi-spherical tops with C 2v symmetry The first case with C 2v symmetry that we have studied up to now is SO 2 F 2 which is very close to tetrahedral symmetry [88][89][90] and for which this kind of approach seems thus very suitable.…”

The bending triad of the quasi-spherical top molecule SO2F2 in the 550cm−1 region

“…In our previous paper [6] the infrared transitions assigned in each of the triad bands m 3 , m 7 , and m 9 , when considered as isolated, fitted well using the standard Watson Hamiltonian in S-reduction, and constraining the ground state constants to the S-reduced values obtained in [5]. For each of the bands, the standard deviation of the fit was ca.…”

“…The results for the m 8 (b 2 ) band centered at 887.2 cm À1 and treated as isolated have already been published [5] as well as those for the m 3 (a 1 )/m 7 (b 1 )/ m 9 (b 2 ) bending triad around 550 cm À1 [6]. For these analyses, the standard Watsonian was used.…”