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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 O) Ar , 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 O) Ar and (H O) Ar 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. 2 2 n 2 2 11 2 2 12 -


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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: 30 Mar 2021 12:55
URI: http://d-scholarship.pitt.edu/id/eprint/18065

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