Re: [Ifeffit] inquire for the EXAFS of the mixture of species
Hello everyone, I have a puzzle during analyzing of my EXAFS data. can someone please help me: I have a set of EXAFS data on solution sample at different pH. I wish to extract the structure information from the EXAFS region to accont for the reaction machanism. However, there are several configurations(as indicated by XANES) and species(as indicated by thermodynamics caculation) in solution due to the metal-Ligand complex balance. How can i obtain the structure information about this complex system from the EXAFS data? Thanks, winejia
Hi winejia, it is trivial but at the same time hard problem to solve. There are 2 ways: using Athena and using Artemis Using Athena you have measured your sample and all possible references. The result comes from the fit of the linear combination of your references. Using Artemis is similar but instead of measured references you create models (FEFF cards) from known structures and than fit to your experimental data. For sure you will find some more tricks in the archive of this mailing group. good luck kicaj W dniu 12-03-08 05:47, winejar8324 pisze:
Hello everyone, I have a puzzle during analyzing of my EXAFS data. can someone please help me: I have a set of EXAFS data on solution sample at different pH. I wish to extract the structure information from the EXAFS region to accont for the reaction machanism. However, there are several configurations(as indicated by XANES) and species(as indicated by thermodynamics caculation) in solution due to the metal-Ligand complex balance. How can i obtain the structure information about this complex system from the EXAFS data? Thanks, winejia
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"Dr. Dariusz A. Zając"
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winejar8324