Open AccessLocal structure in molecular complexes probed by multiple‐scattering XAS
Author(s) -
Di Cicco Andrea
Publication year - 2003
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/s0909049502017193
Subject(s) - extended x ray absorption fine structure , x ray absorption spectroscopy , scattering , absorption (acoustics) , spectroscopy , chemistry , absorption spectroscopy , surface extended x ray absorption fine structure , materials science , crystallography , physics , optics , quantum mechanics
The GNXAS ( n ‐body distribution function X‐ray absorption spectroscopy) method for multiple‐scattering (MS) data analysis of EXAFS (extended X‐ray absorption fine structure) data and the results recently obtained on molecular complexes relevant to biological matter are briefly reviewed and discussed. Practical MS calculations for important molecular fragments like Fe—O—O and Fe—C—N—Cu are presented in detail showing the potential of the techniques for measuring bond‐angle distributions. The optimal conditions for obtaining accurate structural refinements using EXAFS measurements and modern data‐analysis schemes are discussed as well as the current perspectives in the exploitation of the technique.