Spectral characteristics of water clusters upon interaction with oxygen molecules and chlorine ions

The interactions of a 6O(2) + (H(2)O)(50) system with two, four, or six Cl(-) ions are studied by the molecular dynamics method. The integral intensity of IR and Raman spectra decreases with an increase in the number of Cl(-) ions surrounding the system. The values of real and imaginary parts of dielectric permittivity increase with the rise in the frequency reaching maxima in the 850 a parts per thousand currency sign omega a parts per thousand currency sign 950 cm(-1). As a result of interactions between ions and the formed (O(2))(6) (H(2)O)(50) cluster, the pattern of the reflection spectrum of IR radiation becomes smoother. The interaction between 6O(2) + (H(2)O)(50) system and Cl(-) ions leads to the substantial increase in the power of emitted radiation. With time, Cl(-) ions gradually leave the interaction zone with the system. Maximum residence time of the last ion near the system boundary does not exceed 3 ps. Cl(-) ions located closer to O(2) molecules do not penetrate into the depth of an (O(2))(6) (H(2)O)(50) cluster.