Tsai, MK and Wang, F and Jordan, KD
(2004)
Electron Attachment to (H <inf>2</inf>O) <inf>2</inf>Ar <inf>n</inf> Clusters.
Journal of Physical Chemistry A, 108 (15).
2912 - 2921.
ISSN 1089-5639
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Abstract
The neutral and negatively charged (H 2O) 2Ar n, n = 1-14, clusters are investigated theoretically by use of a polarizable model potential together, in the case of the anionic clusters, with a Drude-model approach to incorporate dispersion interactions between the excess electron and the argon atoms and water molecules. The (H 2O) 2Ar 11 and (H 2O) 2-Ar 12 clusters are predicted to be "magic numbers", with their high stability being a result of their global minima adopting icosahedral-like structures. On the basis of these results, a mechanism for formation of the anions is proposed. In addition, the rapid falloff in intensity of the n ≥ 7 anionic clusters in the observed mass spectrum and the absence of observable signal for the n = 10 cluster are accounted for.
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