Open AccessThe importance of multiple scattering pathways through the central atom in the analysis of metal K ‐edge XAFS data of coordination complexes
Author(s) -
Binsted N.,
Van Der Gaauw A.,
Wilkin O.,
Young N. A.
Publication year - 1999
Publication title -
journal of synchrotron radiation
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.172
H-Index - 99
ISSN - 1600-5775
DOI - 10.1107/s0909049599000746
Subject(s) - x ray absorption fine structure , atom (system on chip) , scattering , metal , chemistry , crystallography , enhanced data rates for gsm evolution , chemical physics , atomic physics , physics , spectroscopy , optics , quantum mechanics , computer science , organic chemistry , telecommunications , embedded system
Whilst the presence of multiple scattering in compounds containing linear ligands (such as CO or CN-) and/or ring systems (such as imidazole or histidine) has long been recognised and used to obtain important structural data, the multiple scattering pathways through the central atom such as those shown below have not received so much attention. We have previously observed, and cautiously identified peaks at twice the metalligand distance (2R) in the FT's of metal K-edge XAFS to be due to such pathways (Young, 1996a, 1996b), but have not been able to fit them using EXCURV92. These type of multiple scattering paths are implemented within the FEFF codes and subsequent versions of EXCURVE. Whilst a number of workers have identified such features in their data (O'Day et al., 1994; Hudson et al., 1996; DiazMoreno et al., 1998; Sakane et aL 1998), our belief is that the majority of XAFS users are not sufficiently aware of these important pathways, or how they can be used to obtain (tJ