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

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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.


Enheter & grupper
Externa organisationer
  • Institute of Physics, VAST
  • Pacific Northwest National Laboratory

Ämnesklassifikation (UKÄ) – OBLIGATORISK

  • Den kondenserade materiens fysik


Sidor (från-till)20-25
Antal sidor6
TidskriftJournal of Electron Spectroscopy and Related Phenomena
StatusPublished - 2018 dec 1
Peer review utfördJa