Journal of Synchrotron Radiation

Volume 10, Part 1 (January 2003)

research papers

J. Synchrotron Rad. (2003). 10, 46-50 [ doi:10.1107/S0909049502017193 ]

Local structure in molecular complexes probed by multiple-scattering XAS

A. Di Cicco

Abstract: 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.

Keywords: molecular complexes; multiple-scattering X-ray absorption spectroscopy; biological materials; extended X-ray absorption fine structure.