Vol. 30, issue 04, article # 1

Starikov V.I., Solodov A.A. The broadening of CO spectral lines confined in aerogel nanopores. // Optika Atmosfery i Okeana. 2017. V. 30. No. 04. P. 269–273 [in Russian].
Copy the reference to clipboard
Abstract:

The paper presents the results of calculations of the broadening and shifts of absorption lines of CO confined in nanoporous media. The collisions with walls and absorbed rotational and non-rotataional CO molecules are taken into account. The comparison with the existing experimental data is discussed.

Keywords:

CO, half-width and shift of spectral lines, aerogel, nanopores

References:

  1. Henderson M.A. The interaction of water with solid surfaces: Fundamental aspects revisited // Sur. Sci. Rep. 2002. V. 46, N 1–8. P. 5–308.
  2. Ohba T., Kaneko K. Cluster-associated filling of water molecules in slit-shaped graphitic nanopores // Mol. Phys. 2007. V. 105, N 2–3. P. 139–145.
  3. Raghunathan A.V., Aluru N.R. An empirical potential based quasicontinuum theory for structural prediction of water // J. Chem. Phys. 2009. V. 131, N 18. P. 184703-1–184703-7.
  4. Mosaddeghi H., Alavi S., Kowsari M.H., Najafi B. Simulations of structural and dynamic anisotropy in nano-confined water between parallel graphite plates // J. Chem. Phys. 2012. V. 137, N 18. P. 184703-1–184703-10.
  5. Rasaiah J.C., Garde S., Hummer G. Water in nonpolar confinement: From nanotubes to proteins and beyond // Annu. Rev. Phys. Chem. 2008. V. 59, N 1. P. 713–740.
  6. Coudert F.-X., Vuilleumier R., Boutin A. Dipole moment, hydrogen bonding and IR spectrum of confined water // Chem. Phys. Chem. 2006. V. 7, N 12. P. 2464–2467.
  7. Kocherbitov V. Properties of water confined in an amphiphilic nanopore // J. Phys. Chem. C. 2008. V. 112, N 43. P. 16893–16897.
  8. Littl L. Infrakrasnye spektry adsorbirovannyh molekul. M.: Mir, 1969. 516 p.
  9. Kiselev A.V., Lygin V.I. Infrakrasnye spektry poverhnostnyh soedinenij. M.: Nauka, 1972. 459 p.
  10. Uillis R. Fizika poverhnosti: kolebatel'naja spektroskopija adsorbentov / Pod red. R. Uillisa. M.: Mir, 1984. 247 p.
  11. Wagner P.E., Somers R.M., Jenkins J.L. Line broadening and relaxation of three microwave transitions in ammonia by wall and inter molecular collisions // J. Phys. B. 1981. V. 14. P. 4763–4770.
  12. Hartmann J.M., Sironneau V., Boulet C., Svensson T., Hodges J.T., Xu C.T. Collisional broadening and spectral shapes of absorption lines of free and nanopore-confined O2 gas // Phys. Rev. A. 2013. V. 87, N 3. P. 032510-1–032510-10.
  13. 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, N 25. P. 26062–26067.
  14. Svensson T., Lewander M., Svanberg S. Laser absorption spectroscopy of water vapor confined in nanoporous alumina: Wall collision line broadening and gas diffusion dynamics // Opt. Express. 2010. V. 18, N 16. P. 16460–16473.
  15. Hartmann J.-M., Boulet C., Vander Auwera J., El Hamzaoui H., Capoen B., Bouazaoui M. Line broadening of confined CO gas: From molecule-wall to molecule-molecule collisions with pressure // J. Chem. Phys. 2014. V. 140. P. 064302.
  16. Hartmann J.-M., Sironneau V., Boulet C., Svensson T., Hodges J.T., Xu C.T. Infrared absorption by molecular gases as a probe of nanoporous silica xerogel and molecule-surface collisions: Low-pressure results // Phys. Rev. A. 2013. V. 8, N 4. P. 042506.
  17. Svensson T., Adolfsson E., Burresi M., Savo R., Xu C.T., Wiersma D.S., Svanberg S. Pore size assessment based on wall collision broadening of spectral lines of confined gas: Experiments on strongly scattering nanoporous ceramics with fine-tuned pore sizes // Appl. Phys. B. 2013. V. 110, N 2. P. 147–154.
  18. Lugina N.Je., Starikov V.I. Ushirenie kolebatel'no-vrashhatel'nyh linij pogloshhenija molekul uglekislogo i ugarnogo gazov vsledstvie soudarenij so stenkami // Izv. vuzov. Fiz. 2012. V. 55, № 6. P. 657–663.
  19. 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; SоlоdоА.М., Pеtrоvа Т.М., Pоnоmаrеv Yu.N., SоlоdоА.А., Stаrikоv V.I. Fourier spectroscopy of water vapor in the volume of aerogel nanopores. Part I. Measurements and calculations // Atmos. Ocean. Opt. 2014. V. 27, N 5. P. 372–380.
  20. 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 2. Raschet ushirenij linij i sdviga spektral'nyh linij pri stolknovenijah s adsorbirovannymi molekulami // Optika atmosf. i okeana. 2015. V. 28, N 1. P. 32–36; SоlоdоА.М., Pеtrоvа Т.М., SоlоdоА.А., Stаrikоv V.I. Fourier spectroscopy of water vapor in the volume of aerogel nanopores. Part II. Calculation of broadening and shift of spectral lines by adsorbed molecules // Atmos. Ocean. Opt. 2014. V. 28, N 3. P. 232–235.
  21. Solodov A.A., Petrova T.M., Ponomarev Yu.N., Solodov A.M. Influence of nanoconfinement on the relaxation dependence of line half-width for 2–0 band of carbon oxide // Chem. Phys. Lett. 2015. V. 637. P. 18–21.
  22. Mihajlenko S.N., Babikov Ju.L., Golovko V.F. Informacionno-vychislitel'naja sistema «Spektroskopija atmosfernyh gazov». Struktura i osnovnye funkcii // Optika atmosf. i okeana. 2005. V. 18, N 9. P. 765–776.
  23. Radcig A.A., Smirnov B.M. Spravochnik po atomnoj i molekuljarnoj fizike. M.: Atomizdat, 1980. 240 p.
  24. Tsao C.J., Curnutte B. Line-widths of pressure-broadened spectral lines // J. Quant. Spectrosc. Radiat. Transfer. 1962. V. 2, N 1. P. 41–91.
  25. Robert D., Bonamy J. Short range force effects in semiclassical molecular line broadening calculations // J. de Phys. 1979. V. 40, N 10. P. 923–943.
  26. 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, N 11. P. 5432–5450.
  27. Girshfelder Dzh.O., Kurtis Ch.F., Bred R. Molekuljarnaja teorija gazov i zhidkostej. M.: Izd-vo inostr. lit., 1961. 929 p.
  28. Kiriyama F., Rao B.S. Electric dipole moment of 12C16O // J. Quant. Spectrosc. Radiat. Transfer. 2000. V. 65, N 4. P. 673–679.
  29. Maroulis G. Electric polarizability and hyperpolarizability of carbon monoxide // J. Phys. Chem. 1996. V. 100. P. 13466–13473.
  30. Stroinova V.N. Half-width and line center shifts formed by transitions into highly excited vibrational states of CO molecule // Bull. Tomsk Polytech. Univ. 2007. V. 311. P. 88–94.
  31. Townes C.H., Schwalow A.L. Microwave Spectroscopy. New York: McGraw-Hill, 1955. 757 p.

Back