relation: http://d-scholarship-dev.library.pitt.edu/18065/
title: Electron Attachment to (H <inf>2</inf>O) <inf>2</inf>Ar <inf>n</inf> Clusters
creator: Tsai, MK
creator: Wang, F
creator: Jordan, KD
description: 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.
date: 2004-04-15
type: Article
type: PeerReviewed
format: text/plain
language: en
rights: attached
identifier: http://d-scholarship-dev.library.pitt.edu/18065/1/licence.txt
identifier:   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     
relation: 10.1021/jp037081g