J Dubrail and F Farges 2009 J. Phys.: Conf. Ser. 190 012176 doi:10.1088/1742-6596/190/1/012176
J Dubrail1 and F Farges2,3
Show affiliationsHigh-resolution XANES spectra for various chromates show that their pre-edge feature varies dramatically with Cr-polymerization. Ab-initio FEFF calculations reproduces those observed experimental trends. Those variations can be easily explained with Pauling's bond valence rules. As chromates are used to model the fraction of toxic Cr(VI) in samples of environmental importance (among others), a careful choice of the chromate model compound is essential for a reliable model of the Cr-speciation in "unknown" samples.
Soft matter, liquids and polymers
Issue 1 (2009)
J Dubrail and F Farges 2009 J. Phys.: Conf. Ser. 190 012176
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