Computer simulation study of the cluster destruction of stratospheric ozone by bromine

doi:10.1088/1674-1056/21/11/113602

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 the 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.

Keywords: bromine ion water cluster ozone infrared and Raman spectra

Received: 12 May 2012
Accepted manuscript online:

PACS:	36.40.Mr	(Spectroscopy and geometrical structure of clusters)
	36.20.Ng	(Vibrational and rotational structure, infrared and Raman spectra)
	92.70.Cp	(Atmosphere)
	92.70.Er	(Biogeochemical processes)

Fund: Project supported by the Russian Foundation of Basic Research (Grant No. 08-08-00136-a).

Corresponding Authors: A. E. Galashev
E-mail: galashev@ecko.uran.ru

Cite this article:

A. E. Galashev, O. R. Rakhmanova Computer simulation study of the cluster destruction of stratospheric ozone by bromine 2012 Chin. Phys. B 21 113602

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