WORKSHOP: XANES SPECTROSCOPY - DATA COLLECTION, ANALYSIS AND SIMULATION

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This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. The subproject and investigator (PI) may have received primary funding from another NIH source, and thus could be represented in other CRISP entries. The institution listed is for the Center, which is not necessarily the institution for the investigator. The SSRL SMB XAS group hosted a workshop on ?XANES Spectroscopy: Data Collection, Analysis, and Simulation? on Wednesday, October 3, 2007 in conjunction with the SSRL/LCLS Annual Users? meeting. The workshop focused on experimental and theoretical aspects of XANES spectroscopy in the soft to hard x-ray energy regions. In addition to speciation information for solutions and mixtures, spectral features in the XANES region can be related to the electronic and geometric structures of the absorber by ligand field theory, molecular orbital theory, multiplet theory, multiple-scattering theory, and band structure. The aim of the workshop was to review the current state-of-the-art methods for interpreting XANES data, and discuss the possibility of a more unified theory for the analysis of XAS edges. Maximizing the information that can be obtained from the XANES region is particularly important for very dilute biological samples, where obtaining EXAFS data may be prohibitive. More than 40 participants attended, representing the US, Canada and Europe.