Sulfate Speciation Analysis Using Soft X-ray Emission Spectroscopy
L. Weinhardt, Dirk Hauschild, Ralph Steininger, Nan Jiang, Monika Blum, Wanli Yang, Clemens Heske
Abstract
The chemical and electronic structures of 15 different sulfates are studied using S L2,3 soft X-ray emission spectroscopy (XES). Sulfur L2,3 XES spectra of sulfates are distinctively different from those of other sulfur compounds, which makes XES a powerful technique for sulfate detection. Furthermore, subtle but distinct differences between the spectra of sulfates with different cations are observed, which allow a further differentiation of the specific compound. Most prominently, the position and width of the emission from “S 3s” derived bands systematically vary for different compounds, which can be understood with electronic structure and spectral calculations based on density functional theory.