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Главная » Статьи » 2009 » Colloid_Journal

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≤ω950cm–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.


/Colloid_Journal_71_6_2009.pdf

Категория: Colloid_Journal | Добавил: watercluster (02.03.2010)
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