DetOx: A Program for Determining Anomalous Scattering Factors of Mixed-Oxidation-State Species

Dec 202012
 

J. Sync. Rad (2013). 20, 200–204. [ doi:10.1107/S0909049512044007 ]

Overlapping absorption edges will occur when an element is present in multiple oxidation states within a material. DetOx is a program for partitioning overlapping X-ray absorption spectra into contributions from individual atomic species and computing the dependence of the anomalous scattering factors on X-ray energy. It is demonstrated how these results can be used in combination with X-ray diffraction data to determine the oxidation state of ions at specific sites in a mixed-valance material, GaCl2 .

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ACA Student Lecturer Award

Aug 022012
 

Congratulations to Karim Sutton, who has been awarded a Margaret C. Etter Student Lecturer Award at the recent American Crystallographic Association annual meeting in Boston.

He presented his recent research determining oxidation states in mixed-valent materials using tunable synchrotron radiation on Diamond beamline I19.

The awards were established to honour the memory of Professor Etter (1943-1992), who was a major contributor to the field of organic solid-state chemistry.