Reproducibility Tests of Extended X-Ray Absorption Fine Structure for Aqua and Ammine Complexes of First Transition Metals in Solid and Aqueous Solution

Abstract

X-ray absorption spectra of some aqua and ammine complexes of first transition metals in solid and aqueous solution were measured and analyzed repeatedly. The parameter values of their extended X-ray absorption fine structure (EXAFS) were reproducible within about 0.01 Å in the interatomic distance and about 15% in the amplitude factor. Better reproducibilities were obtained for the samples for which the residuals of fitting calculations were small. The “error bar” was also calculated according to the method suggested at the “International Workshop on Standards and Criteria in X-Ray Absorption Spectroscopy, 1988”. It was shown that the random errors can be as small as ≤0.001 Å in distance and ≤2% in amplitude for samples with simple coordination shell structure.