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Ionic bonding in free nanoscale NaCl clusters as seen by photoelectron spectroscopy

Zhang, Chaofan; Andersson, Tomas; Svensson, Svante; Bjorneholm, Olle; Huttula, Marko; Mikkela, Mikko-Heikki; Tchaplyguine, Maxim LU and Öhrwall, Gunnar LU (2011) In Journal of Chemical Physics 134(12).
Abstract
The free neutral nanoscale NaCl clusters have been produced in a beam and studied with x-ray photoelectron spectroscopy. High resolution spectra simultaneously containing cluster and molecular-monomer, featuring in both the valence and core-level Na 2p and Cl 2p regions, have been obtained. Cluster-level energy shifts of around 3 eV toward lower binding energy for Na 2p and approximate to 1 eV toward higher binding energy for Cl 2p relative to the monomer levels have been unambiguously established. To rationalize the core-level energy shifts of the nanoscale NaCl clusters, the ionic model taking into account all charge-charge and polarization interactions has been developed and implemented. A satisfactory agreement between the experimental... (More)
The free neutral nanoscale NaCl clusters have been produced in a beam and studied with x-ray photoelectron spectroscopy. High resolution spectra simultaneously containing cluster and molecular-monomer, featuring in both the valence and core-level Na 2p and Cl 2p regions, have been obtained. Cluster-level energy shifts of around 3 eV toward lower binding energy for Na 2p and approximate to 1 eV toward higher binding energy for Cl 2p relative to the monomer levels have been unambiguously established. To rationalize the core-level energy shifts of the nanoscale NaCl clusters, the ionic model taking into account all charge-charge and polarization interactions has been developed and implemented. A satisfactory agreement between the experimental and model results has been obtained. The model calculations have also shed additional light on the size-and site-specific cluster responses. (C) 2011 American Institute of Physics. [doi:10.1063/1.3570576] (Less)
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publication status
published
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in
Journal of Chemical Physics
volume
134
issue
12
publisher
American Institute of Physics
external identifiers
  • wos:000289151400043
  • scopus:79953314680
ISSN
0021-9606
DOI
10.1063/1.3570576
language
English
LU publication?
yes
id
1a9a8dc2-efb6-4173-afff-18f75f3ca007 (old id 1918438)
date added to LUP
2011-05-12 11:10:55
date last changed
2017-02-12 03:17:29
@article{1a9a8dc2-efb6-4173-afff-18f75f3ca007,
  abstract     = {The free neutral nanoscale NaCl clusters have been produced in a beam and studied with x-ray photoelectron spectroscopy. High resolution spectra simultaneously containing cluster and molecular-monomer, featuring in both the valence and core-level Na 2p and Cl 2p regions, have been obtained. Cluster-level energy shifts of around 3 eV toward lower binding energy for Na 2p and approximate to 1 eV toward higher binding energy for Cl 2p relative to the monomer levels have been unambiguously established. To rationalize the core-level energy shifts of the nanoscale NaCl clusters, the ionic model taking into account all charge-charge and polarization interactions has been developed and implemented. A satisfactory agreement between the experimental and model results has been obtained. The model calculations have also shed additional light on the size-and site-specific cluster responses. (C) 2011 American Institute of Physics. [doi:10.1063/1.3570576]},
  articleno    = {124507},
  author       = {Zhang, Chaofan and Andersson, Tomas and Svensson, Svante and Bjorneholm, Olle and Huttula, Marko and Mikkela, Mikko-Heikki and Tchaplyguine, Maxim and Öhrwall, Gunnar},
  issn         = {0021-9606},
  language     = {eng},
  number       = {12},
  publisher    = {American Institute of Physics},
  series       = {Journal of Chemical Physics},
  title        = {Ionic bonding in free nanoscale NaCl clusters as seen by photoelectron spectroscopy},
  url          = {http://dx.doi.org/10.1063/1.3570576},
  volume       = {134},
  year         = {2011},
}