|Title||Sulfur K-edge XAS as a probe of sulfur-centered radical intermediates.|
|Publication Type||Journal Article|
|Year of Publication||2007|
|Authors||Martin-Diaconescu, V, Kennepohl, P|
|Journal||J. Am. Chem. Soc.|
|Keywords||DFT, Free Radicals, Free Radicals: analysis, Free Radicals: chemistry, GLUTATHIONE, Glutathione: chemistry, Oxidation-Reduction, PHOTOCHEMISTRY, SPECTROMETRY, SPECTROPHOTOMETRY, Sulfhydryl Compounds, Sulfhydryl Compounds: chemistry, SULFUR, sulfur redox, Sulfur: chemistry, ULTRAVIOLET, X-Ray Emission, X-Ray Emission: methods, XAS|
Sulfur K-edge XAS is used in the identification and characterization of sulfur based radicals obtained from UV irradiated glutathione. Ground state and time-dependent DFT calculations are used to identify thiyl (RS center dot) and perthiyl (RSS center dot) radical species.