Vol. 28, issue 01, article # 4

Solodov A. M., Petrova T. M., Solodov A. A., Starikov V. I. Fourier-spectroscopy of water vapor in the volume of aerogel nanopores. Part 2. Calculation of broadening and shift of spectral lines by adsorbed molecules. // Optika Atmosfery i Okeana. 2015. V. 28. No. 01. P. 33-36 [in Russian].
Copy the reference to clipboard

The model proposed in the first part of paper [2] for simulation of the profile of water vapor confined in nanoporous aerogel was advanced. In the developed model, the loss of the degree of rotational freedom of the adsorbed water molecules was taken into account, the collisions with which give a strong contribution to the line broadening and shift. The half-widths and shift calculated using this model are in good agreement with experimentally determined ones.


water vapor, half-widths and shift of spectral lines, aerogel, nanopores


  1. Ponomarev Yu.N., Petrova T.M., Solodov A.M., Solodov A.A. IR spectroscopy of water vapor confined in nanoporous silica aerogel // Opt. Express. 2010. V. 18, iss. 25. P. 26062–26067.
  2. Solodov A.M., Petrova T.M., Ponomarev Ju.N., Solodov A.A., Starikov V.I. Fur'e-spektroskopija vodjanogo para, nahodjashhegosja v ob#eme nanopor ajerogelja. Part 1. Izmerenija i modelirovanie // Optika atmosf. i okeana. 2014. V. 27, N 5. P. 378–386.
  3. Kiselev A.V., Lygin V.I. Infrakrasnye spektry poverhnostnyh soedinenij. M.: Nauka, 1972. 459 p.
  4. Zenguil Je. Fizika poverhnosti. M.: Mir, 1990. 536 p.
  5. Sheppard N., Yates D.J.C. Changes in the Infra-Red Spectra of Molecules due to Physical Adsorption // Proc. Roy. Soc. London. A. 1956. V. 238. P. 69–89.
  6. Uillis R. Fizika poverhnosti: kolebatel'naja spektroskopija adsorbentov / Pod red. R. Uillisa. M.: Mir, 1984. 247 p.
  7. Mengel M., Jensen P. A Theoretical Study of the Stark Effect in Triatomic Molecules: Application to H2O // J. Mol. Spectrosc. 1995. V. 169, iss. 1. P. 73–91.
  8. Luo Yi., Agren H., Vahtras O., Jorgensen P., Spirko V., Hettema H. Frequency-dependent polarizabilities and first hyperpolarizabilities of H2O // J. Chem. Phys. 1993. V. 98, iss. 9. P. 7159–7164.
  9. Buldyreva J., Lavrenteva N., Starikov V. Collisional Line Broadening and Shifting of Atmospheric Gases. A practical Guide for Line Shape Modeling by Current Semi-Classical Approaches. London: Imperical College Press, 2010. 304 p.
  10. Robert D., Bonamy J. Short range force effects in semiclassical molecular line broadening calculations // J. de Phys. 1979. V. 40, iss. 10. P. 923–943.
  11. Leavitt R.P. Pressure broadening and shifting in microwave and infrared spectra of molecules of arbitrary symmetry: An irreducible tensor approach // J. Chem. Phys. 1980. V. 73, iss. 11. P. 5432–5450.