Abstract
The frequency dependence of the absorption factor and refractive index of a dispersion water system absorbing ammonia are studied by means of molecular dynamics. It is found that the capture of the ammonia molecules by water clusters is accompanied by a substantial reduction in their ability to absorb IR radiation in the frequency range 0 ≤ ω ≤ 3500 cm−1, and the refractive index of the ammonia-water system of clusters is lowered. It is shown that the maxima of the absorption spectra and the refractive index shift to higher frequencies. Starting from a certain concentration of ammonia in the clusters, however, the integral intensity of the spectra increases.
Similar content being viewed by others
References
P. A. Stockman, R. E. Burngarner, S. Suzuki, and G. A. Blake, J. Chem. Phys. 96, 2496 (1992).
J. Sadley, R. Moszynski, C. Cz. Dobrowolski, and A. P. Mazurck, J. Phys. Chem. A 103, 8528 (1999).
D. J. Donaldson, J. Phys. Chem. A 103, 62 (1999).
C. Lee, G. Fitzgerald, M. Planas, and J. J. Novoa, J. Phys. Chem. 100, 7398 (1996).
S. Karthikeyan, J. N. Singh, and K. S. Kim, J. Phys. Chem. A 112, 6527 (2008).
L. X. Dang and T.-M. Chang, J. Chem. Phys. 106, 8149 (1997).
W. L. Jorgensen and J. D. Madura, J. Am. Chem. Soc. 105, 1407 (1983).
A. E. Galashev and O. R. Rakhmanova, Russ. J. Phys. Chem. A 84, 1364 (2010).
H. L. Lemberg and F. H. Stillinger, J. Chem. Phys. 62, 1677 (1975).
A. Rahman, F. H. Stillinger, and H. L. Lemberg, J. Chem. Phys. 63, 5223 (1975).
H. Saint-Martin, B. Hess, and H. J. C. Berendsen, J. Chem. Phys. 120, 11133 (2004).
M. H. New and B. J. Berne, J. Am. Chem. Soc. 117, 7172 (1995).
J. M. Haile, Molecular Dynamics Simulation. Elementary Methods (Wiley, New York, 1992).
L. D. Landau and E. M. Lifshits, Electrodynamics of Continuos Media (Pergamon, New York, 1960), Vol. 8.
Physical Encyclopedy, Ed. by A. M. Prokhorov (Sov. Entsiklopediya, Moscow, 1988), Vol. 1, p. 702 [in Russian].
V. N. Koshlyakov, Problems of Solid Dynamics and Applied Hyroscope Theory (Nauka, Moscow, 1985) [in Russian].
R. Sonnenschein, J. Comp. Phys. 59, 347 (1985).
F. Bresme, J. Chem. Phys. 115, 7564 (2001).
M. Neumann, J. Chem. Phys. 82, 5663 (1985).
P. L. Goggin and C. Carr, in Water and Aqueous Solutions, Ed. by G. W. Neilson and J. E. Enderby (Adam Hilger, Bristol, Boston, 1986), Vol. 37, p. 149.
L. Kleiner, R. Brown, G. Tarrago, et al., J. Mol. Spectrosc. 196, 46 (1999).
Author information
Authors and Affiliations
Corresponding author
Additional information
Original Russian Text © A.E. Galashev, 2013, published in Zhurnal Fizicheskoi Khimii, 2013, Vol. 87, No. 6, pp. 985–988.
Rights and permissions
About this article
Cite this article
Galashev, A.E. Molecular dynamics investigation of the interaction between IR radiation and an ammonia-water medium. Russ. J. Phys. Chem. 87, 963–966 (2013). https://doi.org/10.1134/S0036024413060095
Received:
Published:
Issue Date:
DOI: https://doi.org/10.1134/S0036024413060095