eprintid: 18065
rev_number: 24
userid: 1419
dir: disk0/00/01/80/65
datestamp: 2013-04-08 17:25:02
lastmod: 2021-06-12 22:55:25
status_changed: 2013-04-08 17:25:02
type: article
metadata_visibility: show
item_issues_count: 0
eprint_status: archive
creators_name: Tsai, MK
creators_name: Wang, F
creators_name: Jordan, KD
creators_email: 
creators_email: 
creators_email: jordan@pitt.edu
creators_id: 
creators_id: 
creators_id: JORDAN
title: Electron Attachment to (H <inf>2</inf>O) <inf>2</inf>Ar <inf>n</inf> Clusters
ispublished: pub
divisions: sch_as_chemistry
full_text_status: public
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.
date: 2004-04-15
date_type: published
publication: Journal of Physical Chemistry A
volume: 108
number: 15
pagerange: 2912 - 2921
refereed: TRUE
issn: 1089-5639
id_number: 10.1021/jp037081g
citation:   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     
document_url: http://d-scholarship-dev.library.pitt.edu/18065/1/licence.txt