HIGH RESOLUTION XES AS A PROBE OF ZN ELECTRONIC STRUCTURE

高分辨率XES作为锌电子结构探针

• 批准号: 8170052
• 负责人: James E. Penner-Hahn
• 金额: $ 0.98万
• 依托单位: STANFORD UNIVERSITY
• 依托单位国家: 美国
• 财政年份: 2010
• 资助国家: 美国
• 起止时间: 2010-05-01 至 2011-02-28
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/8170052
• 关键词: Access to Information; Complex; Computer Retrieval of Information on Scientific Projects Database; Enzymes; Funding; Grant; Institution; Libraries; Metals; Modeling; Radiation; Research; Research Personnel; Resolution; Resources; Source; Spectrum Analysis; United States National Institutes of Health; Xray Emission Spectroscopy; electronic structure; molecular orbital

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. X-ray emission spectroscopy provides unprecedented access to information about the electronic structure of closed-shell metals such as Zn(II). XES allows one to probe the filled bonding molecular orbitals directly, thus providing information comparable to that obtained from photoelectron spectroscopy, but without the radiation damage that PES causes. To date, most studies of Zn XES have focused on ionic lattice complexes. We propose to develop a model library of Zn XES spectra for a selection of carefully chosen model compounds and to apply this library in a study of Zn-containing alkyl transfer enzymes.

这个子项目是许多研究子项目中利用 资源由NIH/NCRR资助的中心拨款提供。子项目和 调查员(PI)可能从NIH的另一个来源获得了主要资金， 并因此可以在其他清晰的条目中表示。列出的机构是 该中心不一定是调查人员的机构。 X射线发射光谱提供了前所未有的途径来了解闭壳金属的电子结构，如锌(II)。XES允许人们直接探测填充的成键分子轨道，从而提供与光电子能谱相当的信息，但没有PES造成的辐射损害。到目前为止，对锌的研究主要集中在离子晶格络合物上。我们建议建立一个用于精选模型化合物的锌XES光谱模型库，并将该库应用于含锌烷基转移酶的研究。