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Título: | Ab initio X-ray absorption spectroscopy study of the solvation structure of Th(IV), U(IV), and Np(IV) in aqueous solution |
Autor: | Chaboy, Jesús CSIC; Díaz-Moreno, Sofía | Fecha de publicación: | 2011 | Editor: | American Chemical Society | Citación: | Journal of Physical Chemistry A 115(11): 2345-2349 (2011) | Resumen: | 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) L3-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. © 2011 American Chemical Society. | URI: | http://hdl.handle.net/10261/52164 | DOI: | 10.1021/jp1105482 | Identificadores: | doi: 10.1021/jp1105482 issn: 1089-5639 e-issn: 1520-5215 |
Aparece en las colecciones: | (ICMA) Artículos |
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accesoRestringido.pdf | 15,38 kB | Adobe PDF | Visualizar/Abrir |
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