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Issue 24, 1995
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Temperature dependence of EXAFS for bromide ions in solution

Abstract

Extended X-ray absorption fine structure (EXAFS) spectra have been obtained for bromide ions in water, 2,2,2-trifluoroethanol, ethylene glycol and n-butyl alcohol at various temperatures. Cumulant analysis was applied to the EXAFS data to determine the atomic distances of Br—O, the mean square relative displacements, σ2, and the third-order cumulants, C3. The potential-energy curves for the Br—O interaction were obtained from the analysis of σ2/T and C3/T2 by using the diatomic chain model with a first-principle calculation. A correlation was found between the anharmonicity in the Br—O interaction and the Mayer-Gutmann acceptor number of the solvent.

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Article information


J. Chem. Soc., Faraday Trans., 1995,91, 4389-4393
Article type
Paper

Temperature dependence of EXAFS for bromide ions in solution

Y. Sawa, T. Miyanaga, H. Tanida and I. Watanabe, J. Chem. Soc., Faraday Trans., 1995, 91, 4389
DOI: 10.1039/FT9959104389

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