Hi all,

          I am doing EXAFS analysis of a sample having two metal centres with different coordination geometry. In my sample two  (Cu) metal centres are present and these metal centres are surrounded by different ligands (atoms) in different coordination geometry.

          As I understand the EXAFS data of such sample will have contributions from both the metal centres. So, in order to analyse the EXAFS data, I have generated theoretical model (using Artemis) for both the metal centres. Then, I have fitted these theoretical models to the experimetal data.

         But, I have some questions regarding this type of analysis as I am not sure whether I going in right direction or not:

1. I have to fit these theoretical models one by one or simultaneously to the experimetal data.

2. How can I confirm that whether the EXAFS data of the sample has contributions from both the metal centres.

3. If one of the model does not fit well to the exp data, does this mean that the corresponding metal centre is not present or the metal centre is present but not contributing. 

4. Is it possible to calculate the percentage of contributions from different metal centres to the experimetal data. 

     

 If someone can suggest some available literature on this problem, it will be really helpful to me.

 

With thanks

Abhijeet Gaur

Research Scholar

School of Studies in Physics

Vikram University, Ujjain, India