WORKSHOP: XANES SPECTROSCOPY - DATA COLLECTION, ANALYSIS AND SIMULATION

这个子项目是许多利用 由NIH/NCRR资助的中心赠款提供的资源。子项目和 研究者（PI）可能从另一个NIH来源获得了主要资金， 因此可在其他CRISP条目中表示。所列机构为 研究中心，而研究中心不一定是研究者所在的机构。 SSRL SMB XAS小组举办了一个关于？XANES光谱学：数据收集、分析和模拟？2007年10月3日，星期三，与SSRL/LCLS年度用户一起？会议讲习班侧重于XANES光谱学在软X射线到硬X射线能量区域的实验和理论方面。除了解决方案和混合物的形态信息，在XANES区域的光谱特征可以通过配位场理论，分子轨道理论，多重态理论，多重散射理论和能带结构的吸收剂的电子和几何结构。讲习班的目的是审查目前解释XANES数据的最新方法，并讨论是否有可能为XAS边缘的分析建立一个更加统一的理论。最大限度地从XANES区域获得的信息对于非常稀释的生物样品尤其重要，因为在这种情况下，可能无法获得EXAFS数据。来自美国、加拿大和欧洲的40多名与会者出席了会议。

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.