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Solvation Structure and Ion-Complexation of La3+ in a 1 Molal Aqueous Solution of Lanthanum Chloride

DOI: 10.1021/jp202961t DOI Help
PMID: 21574644 PMID Help

Authors: Sofia Diaz-moreno (Diamond Light Source) , Silvia Ramos (Diamond Light Source) , Daniel Bowron (ISIS Facility, Rutherford Appleton Laboratory)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Journal Of Physical Chemistry , VOL 115 (24)

State: Published (Approved)
Published: May 2011

Abstract: H/D isotopic substitution neutron scattering and X-ray scattering have been used to investigate the short and intermediate range solution structure in a 1 molal aqueous solution of lanthanum chloride. To improve the reliability of the local structural information on the cation environment, information has been incorporated from Extended X-ray Absorption Fine Structure (EXAFS) spectroscopy data into the applied analytical framework. The markedly different structural sensitivities of the experimental probes allow the construction of a detailed three dimensional atomistic model using the Empirical Potential Structure Refinement (EPSR) technique. The results show that at the investigated concentration, La3+ is hydrated by eight water molecules and one chloride ion, forming an inner-sphere ion complex in which the water molecules maintain angular configurations consistent with a tricapped trigonal prism configuration. This local geometry considerably disrupts the bulk solvent structure.

Subject Areas: Chemistry, Physics


Instruments: B18-Core EXAFS