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 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≤ w ≤ 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 Brions 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.展开更多
基金Project supported by the Russian Foundation of Basic Research (Grant No. 08-08-00136-a)
文摘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≤ w ≤ 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 Brions 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.
