Re: [Ifeffit] [ifeffit] Intensity difference in XANES

I think everyone might be able to help if you first give a more detailed explanation of how you extracted the data from the those papers as that might have much more influence Hope that helps, Chris ********************************************* Dr. Chris Patridge Assistant Professor Department of Chemistry SASE 315 D’Youville College 320 Porter Ave Buffalo, NY 14201 716-829-8096 patridgc@dyc.edu

On Mar 7, 2022, at 6:51 AM, Chen, Danting wrote:

 Dear All,

I have been studied Zn XANES and EXAFS for my environmental samples. Due to the unknow Zn speciation in my samples, called ‘A’, I do not have adequate Zn reference materials. I found some Zn reference materials from others work, called ‘B’, and extracted the data from their paper.

I found quite similar features, e.g., the location of each peak and bottom. However, the intensity of these peaks or bottoms does not correspond very well. I am guessing that the features of XANES is mainly decided by the bond lengths, ligands and oxidation states of the core atom. The intensity of these features may be influenced by the multiple scattering from the neighbouring atoms beyond the first coordination. Can I conclude that the Zn speciation in my sample ‘A’ has a similar first coordination as other work ‘B’, but the coordination environment beyond the first coordination may be different.

I compare their Fourier Transform ‘B’ with my samples ‘A’, and found each peak location correspond well but the intensity is different. I am guessing that their surrounding atoms are heavier than my samples.

I am unsure if my explanation. Would you mind providing some suggestions regarding the factors influencing the intensity and also the references for this explanation?

I will appreciate your help and many thanks.

Best Wishes, Danting

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