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

The interactions of a 6O₂ + (H₂O)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 ≤ ω ≤ 950 cm⁻¹. As a result of interactions between ions and the formed (O₂)₆ (H₂O)₅₀ cluster, the pattern of the reflection spectrum of IR radiation becomes smoother. The interaction between 6O₂ + (H₂O)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 O₂ molecules do not penetrate into the depth of an (O₂)₆ (H₂O)₅₀ cluster.