Molecular-dynamic modeling of the spectral characteristics of the ozone-water cluster system

Abstract

The absorption of one to six ozone molecules by the (H2O)25 cluster is studied by the method of molecular dynamics under near-atmospheric conditions. The capture of O3 molecules by a water cluster produces a decrease in the integral intensity of IR absorption, reflection, and Raman spectra. IR absorption spectra are highly sensitive to the number of ozone molecules absorbed by a water cluster. The observed photon emission time and the radiation intensity of a dispersed aqueous system with absorbed ozone molecules are appreciably reduced relative to the analogous characteristics of a pure water cluster system.