[Ifeffit] what is the reasonable arc-tan for edge jump

[Takahide Yamaguchi]

Dear all,

I was so glad that Bruce and Zajac gave me advice about MS path
treatment in last time.
Thank you very much.

Now, I am working on analysis of Cu K edge by using EDG_FIT, following
previous papers.
I am wondering if someone gave me comment about current problem for me.
And my question about XANES analysis is "what the reasonable arc-tan is
as a back ground of XANES."

In previous some papers, Cu K edge were deconvoluted by assuming arc-tan
edge jump function.
But I couldn't found the reasonable mention for the shape of arc-tan.

For example of Cu(II), one paper (1), which has interest in the
metalloproteins active site,
the arc-tan were positioned around 8992 eV with 5 eV hwhm approximatly. 　
But in another paper (2), which reported about high valence Cu(III),
the arc-tan for Cu(II) complex looks having narrow hwhm at higher
positons (around at 8984 eV).

(1) /J. Phys. Chem./ B 2000, 104,10814-10819
(2) /JACS/ 2000, 122, 5775-5787

Are there any reason which can explain these difference?

I hope any comment and advice.

Takahide
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