Solvation Structure and Ion Complexation of La3+ in a 1 Molal Aqueous Solution of Lanthanum Chloride
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- 作者：Sofia Di虂az-Moreno ; Silvia Ramos ; Daniel T. Bowron
- 刊名：Journal of Physical Chemistry A
- 出版年：2011
- 出版时间：June 23, 2011
- 年：2011
- 卷：115
- 期：24
- 页码：6575-6581
- 全文大小：867K
- 年卷期：v.115,no.24(June 23, 2011)
- ISSN：1520-5215
文摘
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.