Personally, I'd like to see more data with clear MEE to play with, and would like to model these better than with an ad hoc arc-tanget. I'd also like to see a real case where including MEE transitions gave different structural results than an analysis that did not include them. Any takers?
I've chosen
three real chemical problems from our work where multielectron
excitations had
to be taken into account in order to obtain structural information.
I'm sending you original data together with our articles:
-
cetyl-trimethylammonium
bromide (CTAB) adsorbed on carbon black with very weak structural
signal (Br_CTAB.nor, Br-O
bond). Spectrum of aqueous solution of KBr (Br_sol.nor) helped to
separate atomic and structural features.
Article: Kodre,
A., Padeznik Gomilsek, J., Arcon,
- iodine in
electrolyte, again weak EXAFS signal (I_MPE.mue, I-I bond). Due to
simplicity of EXAFS signal we used shorter k-range to avoid distortion
from MPE.
Article: Padeznik
Gomilsek, J., Arcon,
- CeO2 thin
films annealed in air (Ce_air.mue) or Ar (Ce_Ar.mue). I’m sending a
spectrum
of CeO2 powder as well (CeO2.mue). As in some other lanthanides, MPE
signal is very
strong and affects structural analysis even in case of CeO2 powder. We
subtracted (valence dependent) MPE estimate prior to EXAFS analysis. In
this case MPE resonances are more important than arc-tanget.
Article: Padeznik
Gomilsek, J., Kodre, A.,
Bukovec, N., Kozjek-Skofic, I. Atomic effects in EXAFS structural
analysis of
mixed Ce oxide thin films. Acta chim. slov., 2004, 51, 23-32.
Available
online: http://acta.chem-soc.si/issues.html