| Novel Methodology for the Processing and the Analysis of Multiple-edge XAS Spectra |
| Abstract ID | I&D-04 |
| Presenter | Mario Ulises
Delgado-Jaime |
| Presentation Type | Poster
|
| Full Author List | M. U. Delgado-Jaime (1) , C. Mewis (1) , P. Kennepohl (1)
|
| Affiliations | (1) The University of British Columbia
|
| Category | Instrumentation/Development |
| Abstract | Existing software for background subtraction and normalisation of XAS spectra is proven to be reliable in cases that involve a single edge jump. Previously, we reported a methodology for the analysis of the overlapping edges, specifically in cases where both Cl K- and Ru L2 & L3 edges were present. Using this approach, we were able to determine relative values for the covalency of Ru-Cl bonds but quantitative measures were complicated since there isn’t a unique background/subtraction for these more complex situations. Furthermore, it was recently shown that separately fitting the background and the rising edge is not ideal. To address these issues, we propose a new methodology using Matlab®. A Monte Carlo approach is applied to allow experimenters to explore the solution space and evaluate the robustness of the calculated fit parameters. Two case studies are used and the applicability on more complicated spectra, such as the Cl-K edge XAS spectra for Ruthenium-carbene catalysts, is introduced. |
| Footnotes | |
| Funding Acknowledgement | NSERC (Natural Sciences and Engineering Research Council of Canada), CONACYT (Consejo Nacional de Ciencia y Tecnologia), UBC (The University of British Columbia). |
