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Electron Attachment to (H <inf>2</inf>O) <inf>2</inf>Ar <inf>n</inf> Clusters

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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Details

Item Type: Article
Status: Published
Creators/Authors:
CreatorsEmailPitt UsernameORCID
Tsai, MK
Wang, F
Jordan, KDjordan@pitt.eduJORDAN
Date: 15 April 2004
Date Type: Publication
Journal or Publication Title: Journal of Physical Chemistry A
Volume: 108
Number: 15
Page Range: 2912 - 2921
DOI or Unique Handle: 10.1021/jp037081g
Schools and Programs: Dietrich School of Arts and Sciences > Chemistry
Refereed: Yes
ISSN: 1089-5639
Date Deposited: 08 Apr 2013 17:25
Last Modified: 02 Feb 2019 15:56
URI: http://d-scholarship.pitt.edu/id/eprint/18065

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