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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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author
organization
publishing date
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
2019-08-25 05:07:12
@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},
  keyword      = {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},
  volume       = {229},
  year         = {2018},
}