0000000000033586
AUTHOR
Veli-matti Horneman
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 analysis of the SO2 spectrum in the 2600–2900cm−1 region: 2ν3, ν2+2ν3−ν2 and 2ν1+ν2 bands
Abstract Infrared spectrum of the SO 2 molecule was recorded with high resolution in the 2600– 2900 cm − 1 region. Spectrum was recorded with the Fourier transform interferometer Bruker IFS-120 HR in Oulu (Finland) with the pressure of 111 Pa and the absorption path length of 163.2 m that allowed us to record 2 ν 3 and 2 ν 1 + ν 2 weak bands. The 2 ν 3 band discussed earlier by Lafferty et al., was re-analyzed, and considerably more information was extracted from the spectrum (more than 3800 transitions of the 2 ν 3 band were assigned in the experimental spectrum with maximum values of quantum numbers, J max . = 76 and K a max . = 26 ). On the basis of the procedure discussed in Ulenikov et…
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 …