Том 31, номер 04, статья № 3
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Аннотация:
Полоса ν2 исследована на основе метода комбинационных разностей с использованием FTIR-спектра высокого разрешения молекулы SO2 в диапазоне 400–700 см-1. Проинтерпретировано более 4500 линий с максимальными значениями квантовых чисел J и Kа, равными 96 и 25 соответственно. На этой основе определено 1294 энергетических колебательно-вращательных уровней состояния (010). В результате решения обратной задачи с использованием этих уровней получено 32 параметра эффективного гамильтониана, которые позволяют воспроизводить исходные экспериментальные данные с точностью drms = 1,9 × 10-4 см-1.
Ключевые слова:
диоксид серы, спектр высокого разрешения, фундаментальная полоса
Список литературы:
1. Mc Cormic M.P., Thompson L.W., Trepte C.R. Atmospheric effects of the Mount Pinatubo eruption // Nature (Gr. Brit.). 1995. V. 373. P. 399–404.
2. Marcq E., Betraux J.-L., Montmessin F., Belyaev D. Variations of sulfur dioxide at the cloud top of Venus's dynamic atmosphere // Nature Geosci. 2013. V. 6. P. 25–28.
3. 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, iss. 2. P. 111–121.
4. Ulenikov O.N., Bekhtereva E.S., Alanko S., Horneman V.-M., Gromova O.V., Leroy C. On the high resolution spectroscopy and intramolecular potential function of SO2 // J. Mol. Spectrosc. 2009. V. 257, iss. 2. P 137–156.
5. 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 and 2ν1 + ν2 + ν3 – ν2 // Mol. Phys. 2010. V. 108. P. 1253–1261.
6. 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 + ν2/ν2 + ν3/3ν2 polyad of the 32SO2 molecule // J. Quant. Spectrosc. Radiat. Transfer 2011. V. 112. P. 486–512.
7. 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.
8. Ulenikov O.N., Onopenko G.A., Gromova O.V., Bekhtereva E.S., Horneman V.-M. Re-analysis of the (100), (001), and (020) rotational structure of SO2 on the basis of high resolution FTIR spectra // J. Quant. Spectrosc. Radiat. Transfer. 2013. V. 130. P. 220–232.
9. Ulenikov O.N., Gromova O.V., Bekhtereva E.S., Belova A.S., Bauerecker S., Maul C., Sydow 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.
10. Ulenikov O.N., Gromova O.V., Bekhtereva E.S., Krivchikova Yu.V., Sklyarova E.A., Buttersack T., Sydow C., Bauerecker S. High resolution FTIR study of 34S16O2: The bands 2ν3, 2ν1 + ν2, and 2ν1 + ν2 – ν2 // J. Mol. Spectrosc. 2015. V. 318. P. 26–33.
11. Ulenikov O.N., Bekhtereva E.S., Krivchikova Yu.V., Morzhikova Yu.B., Buttersack T., Sydow C., Bauerecker S. High resolution analysis of 32S18O2 spectra: The ν1 and ν3 interacting bands // J. Quant. Spectrosc. Radiat. Transfer. 2015. V. 166. P. 13–22.
12. Ulenikov O.N., Bekhtereva E.S., Gromova O.V., Zamotaeva V.A., Kuznetsov S.I., Sydow C., Maul C., Bauerecker S. First high resolution analysis of the ν1 + ν2 and ν2 + ν3 bands of S18O2 // J. Quant. Spectrosc. Radiat. Transfer. 2016. V. 179. P. 187–197.
13. Ulenikov O.N., Gromova O.V., Bekhtereva E.S., Fomchenko A.L., Sydow C., Bauerecker S. First high resolution analysis of the 3ν1 band of 34S16O2 //J. Mol. Spectrosc. 2016. V. 319. P. 50–54.
14. Ulenikov O.N., Bekhtereva E.S., Gromova O.V., Zamotaeva V.A., Sklyarova E.A., Sydow C., Maul C., Bauerecker S. First high resolution analysis of the 2ν1, 2ν3, and ν1 + ν3 bands of S18O2 // J. Quant. Spectrosc. Radiat. Transfer. 2016. V. 185. P. 12–21.
15. Ulenikov O.N., Bekhtereva E.S., Gromova O.V., Buttersack T., Sydow C., Bauerecker S. High resolution FTIR study of 34S16O2: The bands 2ν1, ν1 + ν3, ν1 + ν2 + ν3 – ν2, and ν1 + ν2 + ν3 // J. Quant. Spectrosc. Radiat. Transfer. 2016. V. 169. P. 49–57.
16. Ulenikov O.N., Bekhtereva E.S., Gromova O.V., Buttersack T., Sydow C., Bauerecker S. High resolution FTIR study of 34S16O2: Re-analysis of the bands ν1 + ν2, ν2 + ν3, and first analysis of the hot band 2ν2 + ν3 – ν2 // J. Mol. Spectrosc. 2016. V. 319. P. 17–25.
17. Ulenikov O.N., Bekhtereva E.S., Gromova O.V., Horneman V.-M., Sydow C., Bauerecker S. High resolution FTIR spectroscopy of sulfur dioxide in the 1550–1950 cm–1 region: First analysis of the ν1 + ν2/ν2 + ν3 bands of 32S16O18O and experimental line intensities of ro-vibrational transitions in the ν1 + ν2/ν2 + ν3 bands of 32S16O2, 34S16O2, 32S18O2, and 32S16O18O // J. Quant. Spectrosc. Radiat. Transfer. 2017. V. 203. P. 377–91.
18. Flaud J.M., Perrin A., Salan L.M., Lafferty W.J., Guelachvill G. A reanalysis of the (010), (020), (100), and (001) rotational levels of 32S16O2 // J. Mol. Spectrosc. 1993. V. 160, iss. 1. P. 272–278.
19. Muller H.S.P., Brunken S. Accurate rotational spectroscopy of sulfur dioxide, SO2, in its ground vibrational and first excited bending states, ν2 = 0.1, up to 2 THz // J. Mol. Spectrosc. 2005. V. 232, iss. 2. P 213–222.
20. Ulenikov O.N., Malikova A.B., Li H.-F., Qian H.-B., Zhu Q.-S., Thrush B.A. High-resolution spectroscopic study of 2ν1, 2ν3 and ν1 + ν3 stretching states: The local-mode effects of H2Se // J. Chem. Soc., Faraday Transfer. 1995. V. 91, N 1. P. 13–16.
21. Ulenikov O.N., Liu A.-W., Bekhtereva E.S., Gromova O.V., Hao L.-Y., Hu S.-M. On the study of high-resolution ro-vibrational spectrum of H2S in the region of 7300–7900 cm–1 // J. Mol. Spectrosc. 2004. V. 226, iss. 1. P. 57–70.
22. Liu A.-W., Ulenikov O.N., Onopenko G.A., Gromova O.V., Bekhtereva E.S., Wan L., Hao L.-Y., Hu S.-M., Flaud J.-M. Global fit of the high-resolution infrared spectrum of D2S // J. Mol. Spectrosc. 2006. V. 238, iss. 1. P. 11–28.
23. Ulenikov O.N., Onopenko G.A., Tyabaeva N.E., Alanko S., Koivusaari M., Anttila R. Precise Study of the lowest vibration-rotational bands ν5 and ν3/ν6 of the CHD3 molecule // J. Mol. Spectrosc. 1997. V. 313, iss. 2. P. 293–313.
24. Ulenikov O.N., Cheglokov A.E., Shevchenko G.A., Winnewisser M., Winnewisser B.P. High-resolution Fourier transform spectra of AsH3: The vibrational bands 2ν2(A1), ν2 + ν4(E), ν1(A1), and ν3(E) // J. Mol. Spectrosc. 1993. V. 157, iss. 1. P. 141–160.
25. Koshelev M.A., Velmuzhov A.P., Velmuzhova I.A., Sennikov P.G., Raspopova N.I., Bekhtereva E.S., Gromova O.V., Ulenikov O.N. High resolution study of strongly interacting ν1(A1)/ν3(F2) bands of MGeH4 (M = 76, 74) // J. Quant. Spectrosc. Radiat. Transfer. 2015. V. 164. P. 161–174.
26. Ulenikov O.N., Bekhtereva E.S., Albert S., Bauerecker S., Niederer H.M., Quack M. Survey of the high resolution infrared spectrum of methane (12CH4 and 13CH4): Partial vibrational assignment extended towards 12 000 cm–1 // J. Chem. Phys. 2014. V. 141. P. 234302-1–234302-33.
27. Ulenikov O.N., Onopenko G.A., Bekhtereva E.S., Petrova T.M., Solodov A.M., Solodov A.A. High resolution study of the ν5 + ν12 band of C2H4 // Mol. Phys. 2010. V. 108. P. 637–647.
28. Ulenikov O.N., Gromova O.V., Bekhtereva E.S., Maul C., Bauerecker S., Gabona M.G., Tan T.L. High resolution ro-vibrational analysis of interacting bands ν4, ν7, ν10, and ν12 of 13C2H4 // J. Quant. Spectrosc. Radiat. Transfer. 2015. V. 151. P. 224–238.
29. Ulenikov O.N., Gromova O.V., Bekhtereva E.S., Onopenko G.A., Aslapovskaya Y., Gericke K.-H., Bauerecker S., Horneman V.-M. High resolution FTIR study of the ν7 + ν10 – ν10 and ν10 + ν12 – ν10 "hot" bands of C2H4 // J. Quant. Spectrosc. Radiat. Transfer. 2014. V. 149. P. 318–333.
30. Ulenikov O.N., Gromova O.V., Bekhtereva E.S., Kashirina N.V., Bauerecker S., Horneman V.-M. Precise ro-vibrational analysis of molecular bands forbidden in absorption: The ν8 + ν10 band of the 12C2H4 molecule // J. Mol. Spectrosc. 2015. V. 313. P. 4–13.