Stabilization energies of Cl−, Br−, and I− ions in water clusters
- 1 September 1993
- journal article
- letter
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 99 (5) , 4222-4224
- https://doi.org/10.1063/1.466096
Abstract
Molecular dynamics computer simulations were performed on clusters of Cl−(H2O)n (n=2,...,15). From the simulations we calculated the stabilization energies of the anion in the cluster. These energies were compared with the values of stabilization energies obtained from the photodetachment spectra of X−(H2O)n clusters (X=Cl−, Br−, or I−). The comparison confirms the hypothesis that the anion is attached to the water cluster.Keywords
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