Vol. 33, issue 05, article # 3

Vasilenko I. A., Naumenko O. V. Expert list of the SO2 molecule absorption lines in the 2000–3000 cm-1 spectral region. // Optika Atmosfery i Okeana. 2020. V. 33. No. 05. P. 342–346. DOI: 10.15372/AOO20200503 [in Russian].
Copy the reference to clipboard

A detailed high-accuracy list of the SO2 molecule absorption lines was obtained in the 2000–3000 cm-1 spectral region, which is important for atmospheric applications, based on a combination of the high-accuracy data on experimental energy levels and variational calculations of the intensities of vibrational-rotational transitions. The expert list contains 70565 absorption lines with an intensity cut-off 1.0E-27 cm/molecule. The results obtained are compared with published data.


sulfur dioxide, energy levels, variational calculations


  1. Ceselin G., Tasinato N., Puzzarini C., Charmet A.P., Stoppa P., Giorgianni S. CO2-, He-, and H2-broadening coefficients of SO2 for n1 band and groundstate transitions for astrophysical applications // J. Quant. Spectrosc. Radiat. Transfer. 2017. V. 203. P. 367–76.
  2. Zurek R.W., Chicarro A., Allen M.A., Bertaux J.L., Clancy R.T., Daerden F., Formisano V., Garvin J.B., Neukum G., Smith M.D. Assessment of a 2016 mission concept: The search for trace gases in the atmosphere of Mars // Planet Space Sci. 2011. V. 59. P. 284–291.
  3. Krasnopolsky V.A. Spatially-resolved high-resolution spectroscopy of Venus 2. Variations of HDO, OCS, and SO2 at the cloud tops // Icarus. 2010. V. 209. P. 314–322.
  4. Clarisse L., Hurtmans D., Clerbaux C., Hadji-Lazaro J., Ngadi Y., Coheur P.-F. Atmospheric Measurement Techniques Retrieval of sulphur dioxide from the infrared atmospheric sounding interferometer (IASI) // Atmos. Meas. Tech. 2012. V. 5. P. 581–594.
  5. Borkov Y.G., Lyulin O.M., Petrova T.M., Solodov A.M., Solodov A.A., Deichuli V.M., Perevalov V.I. CO2-broadening and shift coefficients of sulfur dioxide near 4 mm // J. Quant. Spectrosc. Radiat. Transfer. 2019. V. 225. P. 119–124.
  6. Gordon I.E., Rothman L.S., Hill C., Kochanov R.V., Tan Y., Bernath P.F., Birk M., Boudon V., Campargue A., Chance K.V., Drouin B.J., Flaud J.-M., Gamache R.R., Hodges J.T., Jacquemart D., Perevalov V.I., Perrin A., Shine K.P., Smith M.-A.H., Tennyson J., Toon G.C., Tran H., Tyuterev V.G., Barbe A., Császár A.G., Devi V.M., Furtenbacher T., Harrison J.J., Hartmann J.-M., Jolly A., Johnson T.J., Karman T., Kleiner I., Kyuberis A.A., Loos J., Lyulin O.M., Massie S.T., Mikhailenko S.N., Moazzen-Ahmadi N., Müller H.S.P., Naumenko O.V., Nikitin A.V., Polyansky O.L., Rey M., Rotger M., Sharpe S.W., Sung K., Starikova E., Tashkun S.A., Vander Auwera J., Wagner G., Wilzewski J., Wcisło P., Yu S., Zak E.J. The HITRAN2016 molecular spectroscopic database // J. Quant. Spectrosc. Radiat. Transfer. 2017. V. 203. P. 3–69.
  7. Jacquinet-Husson N., Armante R., Scott N.A., Chédin A., Crépeau L., Boutammine C., Bouhdaoui A., Crevoisier C., Capelle V., Boonne C., Poulet-Crovisier N., Barbe A., Benner Ch.D., Boudon V., Brown L.R., Buldyreva J., Campargue A., Coudert L.H., Devi V.M., Down M.J., Drouin B.J., Fayt A., Fittschen C., Flaud J.-M, Gamache R.R., Harrison J.J., Hill C., Hodnebrog Ø., Hu S.-M., Jacquemart D., Jolly A., Jiménez E., Lavrentieva N.N., Liu A.-W., Lodi L., Lyulin O.M., Massie S.T., Mikhailenko S., Müller H.S.P., Naumenko O.V., Nikitin A., Nielsen C.J., Orphal J., Perevalov V., Perrin A., Polovtseva E., Predoi-Cross A., Rotger M., Ruth A.A., Yu S.S, Sung K., Tashkun S.A., Tennyson J., Tyuterev Vl.G., Vander Auwera J., Voronin B.A., Makie A. The 2015 edition of the GEISA spectroscopic database // J. Mol. Spectrosc. 2016. V. 327. P. 31–72.
  8. Tóbiás R., Furtenbacher T., Császár A. G., Naumenko O.V., Piorier B. Critical evaluation of measured rotational vibrational transitions of four sulphur isotopologues of S16O2 // J. Quant. Spectrosc. Radiat. Transfer. 2018. V. 208. P. 152–163.
  9. Underwood D., Tennyson J., Yurchenko S., Huang X., Schwenke D., Lee T., Clausen S., Fateev A. ExoMol molecular line lists–XIV. The rotation-vibration spectrum of hot SO2 // Mon. Not. Roy. Astron. Soc. 2016. V. 459. P. 3890–3899.
  10. Furtenbacher T., Császár A.G. MARVEL: Measured active rotational-vibrational energy levels. II. Algorithmic improvements // J. Quant. Spectrosc. Radiat. Transfer. 2012. V. 113. P. 929–935.
  11. Lafferty W.J., Pine A.S., Hilpert G., Sams R.L., Flaud J.-M. The n1 + n3 and 2n1 + n3 band systems of SO2: Line positions and intensities // J. Mol. Spectrosc. 1996, V. 176. P. 280–286.
  12. Lafferty W.J., Pine A.S., Flaud J.-M., Camy-Peyret C. The 2n3 band of 32S16O2: Line positions and intensities // J. Mol. Spectrosc. 1993. V. 157. P. 499–511.
  13. Lafferty W.J., Flaud J.-M., Guelachvili G. Analysis of the 2n1 band system of SO2 // J. Mol. Spectrosc. 1998. V. 188. P. 106–107.
  14. Ulenikov O.N., Gromova O.V., Bekhtereva E.S., Bolotova I.B., Konov I.A., Horneman V.-M., Leroy C. High resolution analysis of the SO2 spectrum in the 2600–2900 cm-1 region:2ν3, ν2 + 2ν3 - ν2 and 2ν1 + ν2 bands // J. Quant. Spectrosc. Radiat. Transfer. 2012. V. 113. P. 500–517.
  15. Ulenikov O.N., Gromova O.V., Bekhtereva E.S., Belova A.S., Bauerecker S., Maul C., Sydov C., Horneman V.-M. High resolution analysis of the (111) vibrational state of SO2 // J. Quant. Spectrosc. Radiat. Transfer. 2014. V. 144. P. 1–10.
  16. Vasilenko I., Naumenko O., Horneman V.-M. High-resolution FTIR spectrum of SO2 molecule between 2400 and 2650 cm-1 // Abstr. of the 25th International Conference High Resolution Molecular Spectroscopy, 2018, September 3–7th, Bilbao (Spain). P. 286. URL: http:// www.hrms-bilbao2018.com/daily-program.html (last access: 25.02.2020).
  17. Naumenko O.V., Vasilenko I.A., Horneman V.-M. High Resolution FTIR Spectrum of SO2 molecule in the region of the 2ν1 + ν3 // Abstr. of the 26th Colloquium on High-Resolution Molecular Spectroscopy, 26–30 August, 2019, Dijon, France. Saint-Apollinaire, 2019. P. 74. URL: http://vesta.u-bourgogne.fr/hrms/Program/ AbsBook-HRMS-26-HRefs.pdf (last access: 25.02.2020).
  18. Ulenikov O.N., Bekhtereva E.S., Gromova O.V., Alanko S., Horneman V.-M., Leroy C. Analysis of highly excited “hot" bands in the SO2 molecule: ν2 + 3ν3 - ν2, 2ν1 + ν2 + ν3 - ν2 // Mol. Phys. 2010. V. 108. P. 1253–1261.
  19. Lafferty W.J., Fraser G.T., Pine A.S., Flaud J.-M., Camy-Peyret C., Dana V., Mandin J.-Y., Barbe A., Plateaux J.J., Bouazza S. The 3n3 band of 32S16O2: Line positions and intensities // J. Mol. Spectrosc. 1992. V. 154. P. 51–60.
  20. Ulenikov O.N., Gromova O.V., Bekhtereva E.S., Bolotova I.B., Leroy C., Horneman V.-M., Alanko S. High resolution study of the ν1 + 2ν2 - ν2 and 2ν2 + ν3 - ν2 “hot” bands and ro-vibrational re-analysis of the ν1 + ν22 + ν3/3ν2 polyad of the 32SO2 molecule // J. Quant. Spectrosc. Radiat. Transfer. 2011. V. 112. P. 486–512.
  21. Ulenikov O.N., Bekhtereva E.S., Horneman V.-M., Alanko S., Gromova O.V. High resolution study of the 3ν1 band of SO2 // J. Mol. Spectrosc. 2009. V. 255. P. 111–121.
  22. Huang X., Schwenke D.W., Lee T.J. Quantitative Validation of Ames IR Intensity and New Line Lists for 32/33/34SO2, 32S18O2, and 16O32S18O // J. Quant. Spectrosc. Radiat. Transfer. 2019. V. 225. P. 327–336.