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
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Abhijeet,