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Chaboy J, Muñoz-Páez, Díaz-Moreno S. Geometrical structure of yttrium and metal-bromine complexes in solution: limitations of extended X-ray absorption fine structure analysis (EXAFS). Chemistry. 2001;7(5):1102-8doi: 10.1002/1521-3765(20010302)7:5<1102::aid-chem1102>3.0.co;2-4.
Chaboy, J., Muñoz-Páez, & Díaz-Moreno, S. (2001). Geometrical structure of yttrium and metal-bromine complexes in solution: limitations of extended X-ray absorption fine structure analysis (EXAFS). Chemistry (Weinheim an der Bergstrasse, Germany), 7(5), 1102-8. https://doi.org/10.1002/1521-3765(20010302)7:5<1102::aid-chem1102>3.0.co;2-4
Chaboy, J, et al. "Geometrical structure of yttrium and metal-bromine complexes in solution: limitations of extended X-ray absorption fine structure analysis (EXAFS)." Chemistry (Weinheim an der Bergstrasse, Germany) vol. 7,5 (2001): 1102-8. doi: https://doi.org/10.1002/1521-3765(20010302)7:5<1102::aid-chem1102>3.0.co;2-4
Chaboy J, Muñoz-Páez, Díaz-Moreno S. Geometrical structure of yttrium and metal-bromine complexes in solution: limitations of extended X-ray absorption fine structure analysis (EXAFS). Chemistry. 2001 Mar 02;7(5):1102-8. doi: 10.1002/1521-3765(20010302)7:5<1102::aid-chem1102>3.0.co;2-4. PMID: 11303869.
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Chemistry. 2001 Mar 02;7(5):1102-8. doi: 10.1002/1521-3765(20010302)7:5<1102::aid-chem1102>3.0.co;2-4.

Geometrical structure of yttrium and metal-bromine complexes in solution: limitations of extended X-ray absorption fine structure analysis (EXAFS).

Chemistry (Weinheim an der Bergstrasse, Germany)

J Chaboy, Muñoz-Páez, S Díaz-Moreno

Affiliations

  1. Instituto de Ciencia de Materiales de Aragón, CSIC-Universidad de Zaragoza, Spain. [email protected]

PMID: 11303869 DOI: 10.1002/1521-3765(20010302)7:5<1102::aid-chem1102>3.0.co;2-4

Abstract

An extensive study on the appearance of multi-electron features in the X-ray absorption spectra of several yttrium(III)-based compounds has been performed. The existence of a multi-electron transition of non-negligible intensity within the extended X-ray absorption fine structure (EXAFS) region of the Y K-edge spectra has been proven. The impact of such features in the EXAFS analysis is made evident for aqueous solutions of YBr3 x 6H2O in liquid and glassy states in the concentration range 0.005-2.0 M, in which this transition induces an overestimation in the coordination numbers derived from EXAFS. We have performed theoretical computation of cross-sections for the double-electron processes at the K-edge of both Y and Br. These computations have been applied to the experimental EXAFS K-edge spectra of both Y and Br in several solids and in aqueous solutions. While in the case of Y K-edge spectra the presence of such multi-electron transitions was seen to seriously affect the standard EXAFS analysis, its influence in the case of Br K-edge spectra was determined to be negligible.

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