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Chemical shifts of small heterogeneous Ar/Xe clusters

Lindblad, Andreas LU ; Rander, T.; Bradeanu, I.; Oehrwall, G.; Bjoerneholm, O.; Mucke, M.; Ulrich, V.; Lischke, T. and Hergenhahn, U. (2011) In Physical Review B (Condensed Matter and Materials Physics) 83(12).
Abstract
Heterogeneous rare-gas clusters produced by a coexpansion of an argon/xenon mixture have been studied using synchrotron-radiation-based photoelectron spectroscopy. Both valence and Xe 4d(5/2) core-level photoelectron spectra were recorded for three different concentrations of the primary argon/xenon mixture and, for those mixtures, spectra were recorded at several different stagnation conditions. The studied size regime of the mixed clusters ranges from large, similar to those studied in an earlier paper [Phys. Rev. A 69, 031210(R) (2004)], to very small-as reflected in the cluster line shapes and chemical shifts. The chemical shifts obtained from a curve fitting procedure similar to that used in our earlier paper are discussed in terms of... (More)
Heterogeneous rare-gas clusters produced by a coexpansion of an argon/xenon mixture have been studied using synchrotron-radiation-based photoelectron spectroscopy. Both valence and Xe 4d(5/2) core-level photoelectron spectra were recorded for three different concentrations of the primary argon/xenon mixture and, for those mixtures, spectra were recorded at several different stagnation conditions. The studied size regime of the mixed clusters ranges from large, similar to those studied in an earlier paper [Phys. Rev. A 69, 031210(R) (2004)], to very small-as reflected in the cluster line shapes and chemical shifts. The chemical shifts obtained from a curve fitting procedure similar to that used in our earlier paper are discussed in terms of the mixed cluster structure which can be expected from equilibrium considerations and the Lennard-Jones parameters of the constituent atoms. Molecular dynamics simulations of the vertical polarization shifts allow more specific assignments of "on-top" sites and interfacial sites. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Physical Review B (Condensed Matter and Materials Physics)
volume
83
issue
12
publisher
American Physical Society
external identifiers
  • wos:000288646500007
  • scopus:79961062154
ISSN
1098-0121
DOI
10.1103/PhysRevB.83.125414
language
English
LU publication?
yes
id
a60f32b0-b0cd-4ef2-8ad5-2b6233b51e11 (old id 1925701)
date added to LUP
2011-05-11 08:49:43
date last changed
2017-01-01 06:25:09
@article{a60f32b0-b0cd-4ef2-8ad5-2b6233b51e11,
  abstract     = {Heterogeneous rare-gas clusters produced by a coexpansion of an argon/xenon mixture have been studied using synchrotron-radiation-based photoelectron spectroscopy. Both valence and Xe 4d(5/2) core-level photoelectron spectra were recorded for three different concentrations of the primary argon/xenon mixture and, for those mixtures, spectra were recorded at several different stagnation conditions. The studied size regime of the mixed clusters ranges from large, similar to those studied in an earlier paper [Phys. Rev. A 69, 031210(R) (2004)], to very small-as reflected in the cluster line shapes and chemical shifts. The chemical shifts obtained from a curve fitting procedure similar to that used in our earlier paper are discussed in terms of the mixed cluster structure which can be expected from equilibrium considerations and the Lennard-Jones parameters of the constituent atoms. Molecular dynamics simulations of the vertical polarization shifts allow more specific assignments of "on-top" sites and interfacial sites.},
  articleno    = {125414},
  author       = {Lindblad, Andreas and Rander, T. and Bradeanu, I. and Oehrwall, G. and Bjoerneholm, O. and Mucke, M. and Ulrich, V. and Lischke, T. and Hergenhahn, U.},
  issn         = {1098-0121},
  language     = {eng},
  number       = {12},
  publisher    = {American Physical Society},
  series       = {Physical Review B (Condensed Matter and Materials Physics)},
  title        = {Chemical shifts of small heterogeneous Ar/Xe clusters},
  url          = {http://dx.doi.org/10.1103/PhysRevB.83.125414},
  volume       = {83},
  year         = {2011},
}