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On the ambiguity of the intermolecular interaction potential determined from spectroscopic data

  • Spectroscopy of Ambient Medium
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Abstract

It was shown that the interaction potential for NH3-Ar and NH3-He systems is determined ambiguously from experimentally measured broadening coefficients γ of NH3 absorption lines. Different sets of model interaction potentials, given the same calculation accuracy of the coefficients of broadening by pressure of these gases at room temperature, determine these coefficients for other temperatures in different ways. This difference is the most pronounced for NH3 lines in a NH3-He mixture. For NH3 lines in a NH3-Ar mixture, this difference becomes apparent for lines with small rotational quantum numbers K; this effect weakens for KJ.

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References

  1. R. P. Leavitt, “Pressure broadening and shifting in microwave and infrared spectra of molecules of arbitrary symmetry: An irreducible tensor approach,” J. Chem. Phys. 73, 5432–5450 (1980).

    Article  ADS  Google Scholar 

  2. I. G. Kaplan, Introduction to the Theory of Molecular Interactions (Nauka, Moscow, 1982) [in Russian].

    Google Scholar 

  3. J. Buldyreva, N. N. Lavrent’eva, and V. I. Starikov, Collisional Line Broadening and Shifting of Atmosphyric Gase. A Practical Guide for Line Shape Modeling by Current Semi-Classical Approaches (Imperical College Press, London, 2010).

    Book  Google Scholar 

  4. J. O. Hirschfelder, C. F. Curtiss, and R. B. Bird, Molecular Theory of Gases and Liquids (Wiley, New York, 1954).

    MATH  Google Scholar 

  5. V. I. Starikov, “Noble gas broadening calculation for fundamental bands of H2S,” J. Comput. Meth. Sci. Eng. 10(3–6), 599–608 (2010).

    MATH  Google Scholar 

  6. V. I. Starikov, “The calculation of the temperature dependence of He-broadening coefficients of H2S rotation lines,” Atmos. Ocean. Opt. 25(5), 321–327 (2012).

    Article  Google Scholar 

  7. A. M. Solodov and V. I. Starikov, “Helium-induced halfwidths and line shifts of water vapor transitions of the ν1 + ν2 and ν2 + ν3 bands,” Mol. Phys. 107(1), 43–51 (2009).

    Article  ADS  Google Scholar 

  8. T. M. Petrova, A. M. Solodov, V. I. Starikov, and A. A. Solodov, “Measurements and calculations of Hebroadening and -shifting parameters of the water vapor transitions of the ν1 + ν2 + ν3 band,” Mol. Phys. 110(14), 1493–1503 (2012).

    Article  ADS  Google Scholar 

  9. E. W. Smith, M. Giraud, and J. Cooper, “A semiclassical theory for spectral line broadening in molecules,” J. Chem. Phys. 65, 1256–1267 (1976).

    Article  ADS  Google Scholar 

  10. M. Dhib, J. P. Bouanich, H. Aroui, and M. Broquier, “Collisional broadening coefficients in the ν4 band of NH3 perturbed by He and Ar,” J. Mol. Spectrosc. 202, 83 (2000).

    Article  ADS  Google Scholar 

  11. M. Dhib, M. A. Echargui, H. Aroui, J. Orphal, and J. M. Hartmann, “Line shift and mixing the ν4 and ν2 band of NH3 perturbed by H2 and Ar,” J. Mol. Spectrosc. 233, 138–148 (2005).

    Article  ADS  Google Scholar 

  12. M. Dhib, M. A. Echargui, H. Aroui, and J. Orphal, “Shifting and line mixing parameters in the ν4 band of NH3 perturbed by CO2 and He: Experimental results and theoretical calculations,” J. Mol. Spectrosc. 238, 168–177 (2006).

    Article  ADS  Google Scholar 

  13. V. I. Starikov, “Calculation of the relaxation parameters of overlapping lines of the ammonia molecule pressure broadened by argon and helium,” Opt. Spectrosc. 114(1), 15–25 (2013).

    Article  ADS  Google Scholar 

  14. S. V. Khristenko, A. I. Maslov, and V. P. Shevelko, Molecules and their Spectroscopic Properties (Springer, Berlin, 1998).

    Book  Google Scholar 

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Correspondence to V. I. Starikov.

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Original Russian Text © V.I. Starikov, 2014, published in Optica Atmosfery i Okeana.

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Starikov, V.I. On the ambiguity of the intermolecular interaction potential determined from spectroscopic data. Atmos Ocean Opt 27, 222–229 (2014). https://doi.org/10.1134/S1024856014030099

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  • DOI: https://doi.org/10.1134/S1024856014030099

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