EXAFS Data Analysis of Vitamin B_12 Model Compoudns - A Methodological Study

摘要

In view of several controversial EXAFS results on cobalmins and B_12 model compounds published in the last ten years, a methodological study is presented to explain the origin of these controversial results and to propose how to improve EXAFS structural-parameter refinement. The advantages and limitations of first-shell filtering, constrained refinement, and the importance of the mapping technique are described in order to suggest and encourage improvement of data-analysis codes. The conclusions can be generalized and applied to the EXAFS analysis of the majority of metal complexes