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Contact ion-pair structure in concentrated cesium chloride aqueous solutions : An extended X-ray absorption fine structure study

Pham, Van Thai LU and Fulton, John L. (2018) In Journal of Electron Spectroscopy and Related Phenomena 229. p.20-25
Abstract

The hydration and ion pair structure of Cl− ion in aqueous cesium chloride solutions at 0.5, 6 and 11 mol/kg (H2O) has been studied using Extended X-ray Absorption Fine Structure (EXAFS) at the Cl K-edge. The co-refinement of multiple EXAFS datasets shows that the hydration structure of the free Cl− ion is consistent with previously reported studies. In concentrated solution the Cl− ion is strongly associated with the cation forming contact ion pairs with 1.6 and 2.8 Cs ions in 6 and 11 mol/kg aqueous CsCl, respectively. Together with ion-pairing structure of RbCl and RbBr, reported in our previous work, these results for the Cs-Cl ion-pair structure provide a more general view of ion-pairing... (More)

The hydration and ion pair structure of Cl− ion in aqueous cesium chloride solutions at 0.5, 6 and 11 mol/kg (H2O) has been studied using Extended X-ray Absorption Fine Structure (EXAFS) at the Cl K-edge. The co-refinement of multiple EXAFS datasets shows that the hydration structure of the free Cl− ion is consistent with previously reported studies. In concentrated solution the Cl− ion is strongly associated with the cation forming contact ion pairs with 1.6 and 2.8 Cs ions in 6 and 11 mol/kg aqueous CsCl, respectively. Together with ion-pairing structure of RbCl and RbBr, reported in our previous work, these results for the Cs-Cl ion-pair structure provide a more general view of ion-pairing in concentrated aqueous alkali halide solutions. The reported Cs-Cl ion-pair structure provides a basis for the development and testing of improved interaction potentials leading to more realistic structures from molecular dynamics (MD) simulations.

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type
Contribution to journal
publication status
published
subject
keywords
Cl-hydration structure, Contact ion-pair, Cs-Cl ion pair, Differential EXAFS, EXAFS
in
Journal of Electron Spectroscopy and Related Phenomena
volume
229
pages
6 pages
publisher
Elsevier
external identifiers
  • scopus:85053773141
ISSN
0368-2048
DOI
10.1016/j.elspec.2018.09.004
language
English
LU publication?
yes
id
3933d16f-5932-495d-8bc5-4160025db2a0
date added to LUP
2018-10-08 11:49:34
date last changed
2022-03-09 21:10:37
@article{3933d16f-5932-495d-8bc5-4160025db2a0,
  abstract     = {{<p>The hydration and ion pair structure of Cl<sup>−</sup> ion in aqueous cesium chloride solutions at 0.5, 6 and 11 mol/kg (H<sub>2</sub>O) has been studied using Extended X-ray Absorption Fine Structure (EXAFS) at the Cl K-edge. The co-refinement of multiple EXAFS datasets shows that the hydration structure of the free Cl<sup>−</sup> ion is consistent with previously reported studies. In concentrated solution the Cl<sup>−</sup> ion is strongly associated with the cation forming contact ion pairs with 1.6 and 2.8 Cs ions in 6 and 11 mol/kg aqueous CsCl, respectively. Together with ion-pairing structure of RbCl and RbBr, reported in our previous work, these results for the Cs-Cl ion-pair structure provide a more general view of ion-pairing in concentrated aqueous alkali halide solutions. The reported Cs-Cl ion-pair structure provides a basis for the development and testing of improved interaction potentials leading to more realistic structures from molecular dynamics (MD) simulations.</p>}},
  author       = {{Pham, Van Thai and Fulton, John L.}},
  issn         = {{0368-2048}},
  keywords     = {{Cl-hydration structure; Contact ion-pair; Cs-Cl ion pair; Differential EXAFS; EXAFS}},
  language     = {{eng}},
  month        = {{12}},
  pages        = {{20--25}},
  publisher    = {{Elsevier}},
  series       = {{Journal of Electron Spectroscopy and Related Phenomena}},
  title        = {{Contact ion-pair structure in concentrated cesium chloride aqueous solutions : An extended X-ray absorption fine structure study}},
  url          = {{http://dx.doi.org/10.1016/j.elspec.2018.09.004}},
  doi          = {{10.1016/j.elspec.2018.09.004}},
  volume       = {{229}},
  year         = {{2018}},
}