High resolution study of the 3ν1 band of SO2

Abstract The second overtone band 3 ν 1 of sulfur dioxide has been studied for the first time with high resolution rotation-vibration spectroscopy. About 3000 transitions involving about 900 upper state energy levels with J max. = 66 and K a max. = 24 have been assigned to the 3 ν 1 band. In the analysis, an effective Hamiltonian taking into account accidental interactions between the vibrational states (3 0 0), (2 2 0), and (0 4 1) was used. The Watson operator in A -reduction and I r representation was used in the diagonal blocks of the Hamiltonian. As the result of analysis a set of parameters reproducing the initial experimental data with the rms = 0.00028 cm −1 was obtained.

Analysis of highly excited 'hot' bands in the SO2 molecule: ν2 + 3ν3 - ν2 and 2ν1 + ν2 + ν3 - ν2

International audience; We set up a variational procedure of assignments of transitions and we applied it to the analysis very weak 'hot' bands, v(2) + 3v(3) - v(2) and 2v(1) + v(2) + v(3) - v(2), of the SO2 molecule. As the first step of the study, the 'cold' bands, 3v(3) and 2v(1) + v(3), are re-analysed and transitions belonging to those bands are assigned up to the values of quantum numbers J(max.) = 60, K-a(max.) = 19, and J(max.) = 69, K-a(max.) = 20 for the bands 3v(3) and 2v(1) + v(3), respectively. After 'cleaning' the experimental spectrum from transitions belonging to the 3v(3) and 2v(1) + v(3) bands, a variational procedure was used that allowed us to assign 230 and 115 transiti…

High resolution study of the and “hot” bands and ro-vibrational re-analysis of the polyad of the 32SO2 molecule

Abstract The weak “hot” absorption bands, ν 1 + 2 ν 2 − ν 2 and 2 ν 2 + ν 3 − ν 2 , were analysed with high resolution using the Fourier transform interferometer Bruker IFS-120 HR. In order to make possible an analysis of the ν 1 + 2 ν 2 − ν 2 and 2 ν 2 + ν 3 − ν 2 bands, as the first step, we re-analysed considerably the stronger “cold” bands, ν 1 + ν 2 and ν 2 + ν 3 , which are located in the same spectral regions. As the result of analysis we obtained about 2650 and 2050 transitions (1069 and 1001 upper state ro-vibrational energy values) with Jmax. = 78, Kamax. = 27 and Jmax. = 68, Kamax. = 24 for the bands ν 1 + ν 2 and ν 2 + ν 3 , respectively, that is considerably higher than in the …

High Resolution Study of the v1 + 2v2 −v2 and 2v2 + v3 − v2 ”Hot” Bands and Ro-Vibrational Re-Analysis of the v1 + v2/v2 + v3/3v3 Poliad of the SO2 Molecule

The main goal of the present study was to analyse rotational stuctures of two excited vibrational states, (120) and (021). Because both the band, v1+2v2 and 2v2+v3 one are extremally weak, a special efforts were faired to record very weak hot bands, v1+2v2−v2 and 2v2+v3−v2.Both of those bands are located in the region of considerably more stronger combinational bands, v1 + v2 and v2 + v3. On that reason, as the first step of analysis, we made assignments of transitions belonging to these v1 + v2 and v2 + v3 bands. As the result of analysis, we were able to assign three times more transitions to the bands v1 + v2 and v2 + v3 than it was known in the before literature. After "cleaning" the ex…

High resolution study of the SO2 infrared spectra: calculation scheme for assignment of transitions in very weak ro-vibrational bands.

On the high resolution spectroscopy and intramolecular potential function of SO2

Abstract Two weak stretching bands, ν 1  + 3 ν 3 and 3 ν 1  +  ν 3 , of the sulfur dioxide molecule have been recorded at high resolution and analyzed for the first time with using a Fourier transform Bruker IFS-120 HR interferometer. About 1000 transitions with J max .  = 51, K a max . = 16 , and 900 transitions with J max .  = 53, K a max . = 16 have been assigned to the bands ν 1  + 3 ν 3 and 3 ν 1  +  ν 3 , respectively. Analysis of the recorded spectra was made using the model of isolated vibrational states. Parameters obtained from the fit reproduce the initial experimental ro-vibrational energies with the rms deviation of 0.0006 and 0.0012 cm −1 for the bands, 3 ν 1  +  ν 3 and ν 1  …