American Chemical Society
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FTIR Spectral Components of Schwertmannite

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journal contribution
posted on 2010-02-15, 00:00 authored by Jean-François Boily, Paul L. Gassman, Tetyana Peretyazhko, János Szanyi, John M. Zachara
Fourier transform infrared (FTIR) spectral components of three dominant groups of sulfate species in synthetic schwertmannite (Fe8O8(OH)6−x(SO4)x·nH2O) are presented. These components were extracted by multivariate curve resolution analysis of spectra obtained from N2(g)-dry samples initially reacted in aqueous solutions (pH 3−9) at room temperature. Each component contains complex sets of bands that correspond to mixtures of similar species. We tentatively assign these components to sulfate ions that are hydrogen- (components I and III) and iron-bonded (component I) to schwertmannite. Another component (II) is assigned to protonated sulfate species. Heating experiments to 130 °C moreover confirmed this possibility for component II. The spectral components extracted from this study can be used to identify dominant sulfate species in FTIR spectra of naturally occurring schwertmannite samples.