Calculations of line broadening and shift of carbon monoxide (CO) molecules confined in nanoporous media are presented. A model is considered in which the line broadenings and shifts are caused by collisions of free CO molecules with walls and adsorbed CO molecules with and without rotational degrees of freedom.
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M. A. Henderson, “The interaction of water with solid surfaces: Fundamental aspects revisited,” Sur. Sci. Rep. 46 (1–8), 5–308 (2002).
T. Ohba and K. Kaneko, “Cluster-associated filling of water molecules in slit-shaped graphitic nanopores,” Mol. Phys. 105 (2–3), 139–145 (2007).
A. V. Raghunathan and N. R. Aluru, “An empirical potential based quasicontinuum theory for structural prediction of water,” J. Chem. Phys. 131 (18), 184703.1–184703.7 (2009).
H. Mosaddeghi, S. Alavi, M. H. Kowsari, and B. Najafi, “Simulations of structural and dynamic anisotropy in nano-confined water between parallel graphite plates,” J. Chem. Phys. 137 (18), 184703–1 (2012).
J. C. Rasaiah, S. Garde, and G. Hummer, “Water in nonpolar confinement: From nanotubes to proteins and beyond,” Ann. Rev. Phys. Chem. 59 (1), 713–740 (2008).
F.-X. Coudert, R. Vuilleumier, and A. Boutin, “Dipole moment, hydrogen bonding and ir spectrum of confined water,” Chem. Phys. Chem. 7 (12), 2464–2467 (2006).
V. Kocherbitov, “Properties of water confined in an amphiphilic nanopore},” J. Phys. Chem.} 112} (43}), 16893–16
L. Little, Infrared Spectra of Adsorbed Molecules (Academic Press, London, 1966).
A. V. Kiselev and V. I. Lygin, Infrared Spectra of Surface Compounds (Nauka, Moscow, 1972) [in Russia].
R. Willis, Physics of Surfaces: Vibrational Spectroscopy of Adsorbers, Ed. by R. Uillisa (Mir. Moscow, 1984) [in Russian].
P. E. Wagner, R. M. Somers, and J. L. Jenkins, “Line broadening and relaxation of three microwave transitions in ammonia by wall and inter molecular collisions,” J. Phys. 14, 4763–4770 (1981).
J. M. Hartmann, V. Sironneau, C. Boulet, T. Svensson, J. T. Hodges, and C. T. Xu, “Collisional broadening and spectral shapes of absorption lines of free and nanopore-confined O2 gas,” Phys. Rev., A 87 (3), 032510–1 (2013).
Yu. N. Ponomarev, T. M. Petrova, A. M. Solodov, and A. A. Solodov, “IR spectroscopy of water vapor confined in nanoporous silica aerogel,” Opt. Express 18 (25), 26062–26067 (2010).
T. Svensson, M. Lewander, and S. Svanberg, “Laser absorption spectroscopy of water vapor confined in nanoporous alumina: Wall collision line broadening and gas diffusion dynamics,” Opt. Express 18 (16), 16460–16473 (2010).
J.-M. Hartmann, C. Boulet, Auwera J. Vander, H. El Hamzaoui, B. Capoen, and M. Bouazaoui, “Line broadening of confined CO gas: From moleculewall to molecule-molecule collisions with pressure,” J. Chem. Phys. 140, 064302 (2014).
J.-M. Hartmann, V. Sironneau, C. Boulet, T. Svensson, J. T. Hodges, and C. T. Xu, “Infrared absorption by molecular gases as a probe of nanoporous silica xerogel and molecule-surface collisions: Low-pressure results,” Phys. Rev., A 8 (4), 042506 (2013).
T. Svensson, E. Adolfsson, M. Burresi, R. Savo, C. T. Xu, D. S. Wiersma, and S. Svanberg, “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.} 110 (2), 147–15
N. E. Lugina and V. I. Starikov, “Broadening of rovibrational absorption lines of carbon monoxide and dioxide molecules as a result of collisions with walls,” Rus. Phys. J. 55 (6), 657–663 (2012).
A. M. Solodov, T. M. Petrova, Yu. N. Ponomarev, A. A. Solodov, and V. I. Starikov, “Fourier spectroscopy of water vapor in the volume of aerogel nanopores. Part I. Measurements and calculations,” Atmos. Ocean. Opt. 27 (5), 372–380 (2014).
A. M. Solodov, T. M. Petrova, A. A. Solodov, and V. I. Starikov, “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. 28 (3), 232–235 (2014).
A. A. Solodov, T. M. Petrova, Yu. N. Ponomarev, and A. M. Solodov, “Influence of nanoconfinement on the relaxation dependence of line half-width for 2-0 band of carbon oxide,” Chem. Phys. Lett. 637, 18–21 (2015).
S. N. Mikhailenko, Yu. L. Babikov, and V. F. Golovko, “Information-calculating system spectroscopy of atmospheric gases. The structure and main functions,” Atmos. Ocean. Opt. 18 (9), 685–694 (2005).
A. A. Radtsig and B. M. Smirnov, Handbook on Nuclear and Molecular Physics (Atomizdat, Moscow, 1980) [in Russian].
C. J. Tsao and B. Curnutte, “Line-widths of pressurebroadened spectral lines,” J. Quant. Spectrosc. Radiat. Transfer 2 (1), 41–91 (1962).
D. Robert and J. Bonamy, “Short range force effects in semiclassical molecular line broadening calculations,” J. Phys. 40 (10), 923–943 (1979).
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 (11), 5432–5450 (1980).
J. O. Hirschfelder, Ch. F. Curtiss, and R. B. Bird, The Molecular Theory of Gases and Liquids (Willey, Ney York, 1954).
F. Kiriyama and B. S. Rao, “Electric dipole moment of 12C16O,” J. Quant. Spectrosc. Radiat. Transfer 65 (4), 673–679 (2000).
G. Maroulis, “Electric polarizability and hyperpolarizability of carbon monoxide,” J. Phys. Chem. 100, 13466–13473 (1996).
V. N. Stroinova, “Half-width and line center shifts formed by transitions into highly excited vibrational states of CO molecule,” Bull. Tomsk Polytech. Univ. 311, 88–94 (2007).
Original Russian Text © V.I. Starikov, A.A. Solodov, 2017, published in Optika Atmosfery i Okeana.
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Starikov, V.I., Solodov, A.A. Line broadening of carbon oxide in the volume of aerogel nanopores. Atmos Ocean Opt 30, 417–421 (2017). https://doi.org/10.1134/S1024856017050128
- carbon oxide
- halfwidth and shift of spectral lines