Spectral Characteristics of Water Clusters upon Interaction with Oxygen Molecules and Chlorine Ions
Spectral Characteristics of Water Clusters
upon Interaction with Oxygen Molecules and Chlorine Ions
A. E. Galashev, O. R. Rakhmanova, O. A.
Novrusova, and A. A. Galasheva,
Abstract
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≤950cm–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.
