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Colloid
Journal, 2010, Vol. 72, No. 6, pp. 780–787. © Pleiades Publishing, Ltd., 2010. Original
Russian Text © A.E. Galashev, O.R. Rakhmanova, O.A. Novruzova, 2010, published
in Kolloidnyi Zhurnal, 2010, Vol. 72, No. 6, pp. 771–779.
Calculation of Spectral Characteristics of Water Clusters upon Interaction with Oxygen Molecules and Bromine Ions
A. E. Galashev, O. R. Rakhmanova, and O. A. Novruzova
Abstract—Interactions of (Br–)i(H2O)50-i
clusters (0 ≤ i ≤6) with molecular oxygen is studied by the
molecular dynamics method using flexible molecule model. Values of real and
imaginary parts of permittivity decrease in the 0 ≤ ω ≤ 3500 cm–1
frequency range with increasing number of bromine ions in a cluster. The
ability of cluster to absorb IR radiation decreases, whereas the reflectance
and Raman light scattering remains nearly unchanged. An increase in the content
of Br– ions in the cluster
lowers the power of emitted IR radiation and decreases the amount of active
electrons participating in the interaction with IR radiation. However, when the
concentration of Br– ions becomes substantially higher (at i =
5 and 6), the values of emitted
power and the number of active electrons are
restored to the values that are typical for water cluster in the absence of Br–
ions. At i ≥ 3, repelling Br– ions acquire kinetic energy,
which is sufficient to remove molecular oxygen from the system.
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