Ab Initio X-ray Absorption Spectroscopy Study of the Solvation Structure of Th(IV), U(IV), and Np(IV) in Aqueous Solution

被引：26

作者：

Chaboy, Jesus ^{[1
,3
]}

Diaz-Moreno, Sofia ^{[2
]}

机构：

[1] Univ Zaragoza, CSIC, Inst Ciencia Mat Aragon, E-50009 Zaragoza, Spain

[2] Diamond Light Source Ltd, Didcot OX11 0DE, Oxon, England

[3] Univ Zaragoza, Dept Fis Mat Condensada, E-50009 Zaragoza, Spain

来源：

JOURNAL OF PHYSICAL CHEMISTRY A | 2011年 / 115卷 / 11期

关键词：

FINE-STRUCTURE SPECTROSCOPY; NITRATE SOLUTIONS; CHLORO COMPLEXES; COORDINATION; EXAFS; PERCHLORATE; THORIUM(IV); URANIUM(IV); TRANSITIONS; SPECIATION;

D O I：

10.1021/jp1105482

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The coordination structures of U(IV), Np(IV), and Th(IV) in aqueous solution have been determined by studying the X-ray absorption near edge structure (XANES) of the actinide (An) L-3-edge absorption spectra. The high sensitivity of XANES to the bonding geometry provides an unambiguous determination of the coordination polyhedron. On the basis of the comparison of ab initio computations with the experimental data we conclude that the hydration sphere of the three An(IV) aqua-ions studied is best modeled by 9 water molecules forming a tricapped trigonal prism.

引用

页码：2345 / 2349

页数：5

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