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

Díaz-Moreno, Sofia and Ramos, Silvia and Bowron, Daniel T. (2011) Solvation Structure and Ion Complexation of La3+ in a 1 Molal Aqueous Solution of Lanthanum Chloride. The Journal of Physical Chemistry A, 115 (24). pp. 6575-6581. ISSN 1089-5639. E-ISSN 1520-5215. (doi:https://doi.org/10.1021/jp202961t) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided)

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Official URL
http://dx.doi.org/10.1021/jp202961t

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 m 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.

Item Type: Article
Additional information: PMID: 21574644
Subjects: Q Science > QC Physics
Q Science > QD Chemistry
Divisions: Faculties > Sciences > School of Physical Sciences
Faculties > Sciences > School of Physical Sciences > Functional Materials Group
Depositing User: Silvia Ramos
Date Deposited: 05 Dec 2017 13:42 UTC
Last Modified: 06 Dec 2017 14:28 UTC
Resource URI: https://kar.kent.ac.uk/id/eprint/64997 (The current URI for this page, for reference purposes)
Ramos, Silvia: https://orcid.org/0000-0003-2725-7706
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