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Chemical speciation via X-ray emission spectroscopy in the tender X-ray range (CROSBI ID 238415)

Prilog u časopisu | izvorni znanstveni rad | međunarodna recenzija

Petric, Marko ; Kavčič, Matjaž Chemical speciation via X-ray emission spectroscopy in the tender X-ray range // Journal of analytical atomic spectrometry, 31 (2016), 2; 450-457. doi: 10.1039/C5JA00394F

Podaci o odgovornosti

Petric, Marko ; Kavčič, Matjaž

engleski

Chemical speciation via X-ray emission spectroscopy in the tender X-ray range

Kα X-ray emission spectra from a series of phosphorus, sulfur, and chlorine containing compounds covering the full range of oxidation states were measured employing high energy resolution proton induced X-ray emission (PIXE) spectroscopy in the tender X-ray range. Measurements were accompanied by quantum chemistry calculations based on density functional theory (DFT). Clear energy shifts of the Kα lines were measured in correlation with the formal oxidation state for all three elements. This correlation was improved even further using the effective charge based on the DFT calculated valence electron population. Finally, it is demonstrated that the oxidation state analysis based on the Kα energy shifts can be used also for a quantitative analysis of the proportion of separate low-Z species in mixed valence systems.

High energy resolution PIXE, tender x-ray range

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Podaci o izdanju

31 (2)

2016.

450-457

objavljeno

0267-9477

10.1039/C5JA00394F

Povezanost rada

Fizika

Poveznice
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