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Note that for such low concentrations, the acquisition of diffraction patterns S(q) is impossible.
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3 cluster: these calculations yield a 0.0017 (resp. 0.0022) value at 30°C (resp. 300°C). The small disagreement with our experimental determination (0.0012 and 0.0017 at respective temperatures) is due to the small k range that we used.
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This has been however checked by quantitative determination of the self-absorption effect by use of the FLUO software (FLUO:correcting XANES for self-absorption in fluorescence measurements) by Daniel Haskel, University of Washington. For 0.05m solutions of heavy arsenic atom in light water molecules matrix, the effect is found negligible.
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3 and showed that an opening of the molecule results in a shift of the a 1band towards lower wavenumbers.
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