Contact ion-pair structure in concentrated cesium chloride aqueous solutions : An extended X-ray absorption fine structure study
(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.
(Less)
- author
- Pham, Van Thai LU and Fulton, John L.
- organization
- publishing date
- 2018-12-01
- 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}}, }