Speciation of iron sulfide compounds by means of X-ray emission spectroscopy using a compact full-cylinder von Hamos spectrometer
Malte Wansleben, John Vinson, André Wählisch, Karina Bzheumikhova, Philipp Hönicke, Burkhard Beckhoff, Yves Kayser
Abstract
valence-to-core calculations, which are carried out using the ocean package. To validate the reliability of the ocean package for the two sample systems, near edge X-ray absorption fine structure measurements of the Fe K absorption edge are compared to theory using the same input parameters as in the case of the X-ray emission calculations. Based on the example of iron sulfide compounds, the combination of XES experiments and ocean calculations allows unravelling the electronic structure of different transition metal sulfides and qualifying XES investigations for the speciation of different compounds.
Topics & Concepts
SpectrometerEmission spectrumSpectroscopyAnalytical Chemistry (journal)SulfideChemistryAbsorption spectroscopySpectral lineValence (chemistry)ExcitationX-ray spectroscopyK-edgeMaterials scienceX-ray absorption spectroscopySeaWiFSAtomic absorption spectroscopyAbsorption (acoustics)Atomic spectroscopySulfurAtomic emission spectroscopyXANESChemical stateEmission intensityChemical speciesMetalRadiationAtomic physicsX-ray Spectroscopy and Fluorescence AnalysisSAS software applications and methodsMetal Extraction and Bioleaching