High resolution analysis of the SO 2 spectrum in the 2600-2900cm -1 region: 2ν 3, ν 2+2ν 32 and 2ν 12 bands

O. N. Ulenikov, O. V. Gromova, E. S. Bekhtereva, I. B. Bolotova, I. A. Konov, V. M. Horneman, C. Leroy

Research output: Contribution to journalArticle

35 Citations (Scopus)

Abstract

Infrared spectrum of the SO 2 molecule was recorded with high resolution in the 2600-2900cm -1 region. Spectrum was recorded with the Fourier transform interferometer Bruker IFS-120 HR in Oulu (Finland) with the pressure of 111Pa and the absorption path length of 163.2m that allowed us to record 2ν 3 and 2ν 12 weak bands. The 2ν 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 2ν 3 band were assigned in the experimental spectrum with maximum values of quantum numbers, J max.=76 and Kamax.=26). On the basis of the procedure discussed in Ulenikov et al., about 760 transitions of the ν 2+2ν 32 hot band (J max.=49 and Kamax.=13), were assigned, and the rotational structure of the (012) vibrational state was determined for the first time with high accuracy. Very weak band, 2ν 12, was analyzed also for the first time, and about 1250 transitions with J max.=43 and Kamax.=17 were assigned in the spectrum. Information, obtained from the experimental data, was used in the fit for the determination of spectroscopic parameters of the states (002), (012), and (210). In this case, some earlier undiscussed sets of interacting ro-vibrational states were found, and resonance interactions between the states (002)/(130) and (012)/(140) were taken into account. Obtained from the fit, 36 parameters reproduce more than 5800 initial transitions of all three bands with the accuracy close to experimental uncertainties (rms deviation is 0.00021cm -1, 0.00031cm -1 and 0.00014cm -1 for the 2ν 3, ν 2+2ν 32 and 2ν 12 bands, respectively).

Original languageEnglish
Pages (from-to)500-517
Number of pages18
JournalJournal of Quantitative Spectroscopy and Radiative Transfer
Volume113
Issue number7
DOIs
Publication statusPublished - 1 May 2012

Fingerprint

Interferometers
Fourier transforms
Infrared radiation
Molecules
high resolution
vibrational states
Finland
Uncertainty
quantum numbers
infrared spectra
interferometers
deviation
molecules
interactions

Keywords

  • High-resolution spectra
  • Spectroscopic parameters
  • Sulphur dioxide

ASJC Scopus subject areas

  • Radiation
  • Atomic and Molecular Physics, and Optics
  • Spectroscopy

Cite this

High resolution analysis of the SO 2 spectrum in the 2600-2900cm -1 region : 2ν 3, ν 2+2ν 32 and 2ν 12 bands. / Ulenikov, O. N.; Gromova, O. V.; Bekhtereva, E. S.; Bolotova, I. B.; Konov, I. A.; Horneman, V. M.; Leroy, C.

In: Journal of Quantitative Spectroscopy and Radiative Transfer, Vol. 113, No. 7, 01.05.2012, p. 500-517.

Research output: Contribution to journalArticle

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abstract = "Infrared spectrum of the SO 2 molecule was recorded with high resolution in the 2600-2900cm -1 region. Spectrum was recorded with the Fourier transform interferometer Bruker IFS-120 HR in Oulu (Finland) with the pressure of 111Pa and the absorption path length of 163.2m that allowed us to record 2ν 3 and 2ν 1+ν 2 weak bands. The 2ν 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 2ν 3 band were assigned in the experimental spectrum with maximum values of quantum numbers, J max.=76 and Kamax.=26). On the basis of the procedure discussed in Ulenikov et al., about 760 transitions of the ν 2+2ν 3-ν 2 hot band (J max.=49 and Kamax.=13), were assigned, and the rotational structure of the (012) vibrational state was determined for the first time with high accuracy. Very weak band, 2ν 1+ν 2, was analyzed also for the first time, and about 1250 transitions with J max.=43 and Kamax.=17 were assigned in the spectrum. Information, obtained from the experimental data, was used in the fit for the determination of spectroscopic parameters of the states (002), (012), and (210). In this case, some earlier undiscussed sets of interacting ro-vibrational states were found, and resonance interactions between the states (002)/(130) and (012)/(140) were taken into account. Obtained from the fit, 36 parameters reproduce more than 5800 initial transitions of all three bands with the accuracy close to experimental uncertainties (rms deviation is 0.00021cm -1, 0.00031cm -1 and 0.00014cm -1 for the 2ν 3, ν 2+2ν 3-ν 2 and 2ν 1+ν 2 bands, respectively).",
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AU - Ulenikov, O. N.

AU - Gromova, O. V.

AU - Bekhtereva, E. S.

AU - Bolotova, I. B.

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AU - Horneman, V. M.

AU - Leroy, C.

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N2 - Infrared spectrum of the SO 2 molecule was recorded with high resolution in the 2600-2900cm -1 region. Spectrum was recorded with the Fourier transform interferometer Bruker IFS-120 HR in Oulu (Finland) with the pressure of 111Pa and the absorption path length of 163.2m that allowed us to record 2ν 3 and 2ν 1+ν 2 weak bands. The 2ν 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 2ν 3 band were assigned in the experimental spectrum with maximum values of quantum numbers, J max.=76 and Kamax.=26). On the basis of the procedure discussed in Ulenikov et al., about 760 transitions of the ν 2+2ν 3-ν 2 hot band (J max.=49 and Kamax.=13), were assigned, and the rotational structure of the (012) vibrational state was determined for the first time with high accuracy. Very weak band, 2ν 1+ν 2, was analyzed also for the first time, and about 1250 transitions with J max.=43 and Kamax.=17 were assigned in the spectrum. Information, obtained from the experimental data, was used in the fit for the determination of spectroscopic parameters of the states (002), (012), and (210). In this case, some earlier undiscussed sets of interacting ro-vibrational states were found, and resonance interactions between the states (002)/(130) and (012)/(140) were taken into account. Obtained from the fit, 36 parameters reproduce more than 5800 initial transitions of all three bands with the accuracy close to experimental uncertainties (rms deviation is 0.00021cm -1, 0.00031cm -1 and 0.00014cm -1 for the 2ν 3, ν 2+2ν 3-ν 2 and 2ν 1+ν 2 bands, respectively).

AB - Infrared spectrum of the SO 2 molecule was recorded with high resolution in the 2600-2900cm -1 region. Spectrum was recorded with the Fourier transform interferometer Bruker IFS-120 HR in Oulu (Finland) with the pressure of 111Pa and the absorption path length of 163.2m that allowed us to record 2ν 3 and 2ν 1+ν 2 weak bands. The 2ν 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 2ν 3 band were assigned in the experimental spectrum with maximum values of quantum numbers, J max.=76 and Kamax.=26). On the basis of the procedure discussed in Ulenikov et al., about 760 transitions of the ν 2+2ν 3-ν 2 hot band (J max.=49 and Kamax.=13), were assigned, and the rotational structure of the (012) vibrational state was determined for the first time with high accuracy. Very weak band, 2ν 1+ν 2, was analyzed also for the first time, and about 1250 transitions with J max.=43 and Kamax.=17 were assigned in the spectrum. Information, obtained from the experimental data, was used in the fit for the determination of spectroscopic parameters of the states (002), (012), and (210). In this case, some earlier undiscussed sets of interacting ro-vibrational states were found, and resonance interactions between the states (002)/(130) and (012)/(140) were taken into account. Obtained from the fit, 36 parameters reproduce more than 5800 initial transitions of all three bands with the accuracy close to experimental uncertainties (rms deviation is 0.00021cm -1, 0.00031cm -1 and 0.00014cm -1 for the 2ν 3, ν 2+2ν 3-ν 2 and 2ν 1+ν 2 bands, respectively).

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