Phys. B. 2012. V. 21. N. 11. P. 113602–113612.
Computer simulation of the cluster destruction of stratospheric ozone by bromine
A. E. Galashev, O.
Abstract – The interaction of (Br-)i(H2O)50-i,
0 ≤ i ≤ 6 clusters with oxygen and ozone molecules is investigated by
the method of molecular dynamics simulation. The ozone molecules as well
as the bromine ions do not leave the cluster during the calculation of
25 ps. The ability of the cluster containing molecular oxygen to absorb the
infrared (IR) radiation
is reduced in the frequency range of 0 ≤ ω ≤ 3500 cm-1 when the number of the
bromine ions in the cluster grows.
The intensity of the Raman spectrum is not changed significantly when the Br-
ions are added to the ozone-containing system. The power of the emitted IR
radiation is increased when the number of bromine ions grows in the oxygen-containing
system. The data obtained in this study on the IR and the Raman spectra of the
water clusters that contain ozone, oxygen, and Br- can be used to
develop an investigation of the mechanisms of ozone depletion.