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: 7954376
• 负责人: James E. Penner-Hahn
• 金额: $ 0.21万
• 依托单位: STANFORD UNIVERSITY
• 依托单位国家: 美国
• 财政年份: 2009
• 资助国家: 美国
• 起止时间: 2009-03-01 至 2010-02-28
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/7954376
• 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; structural biology; synchrotron radiation

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.

该子项目是利用该技术的众多研究子项目之一 资源由 NIH/NCRR 资助的中心拨款提供。子项目和 研究者 (PI) 可能已从 NIH 的另一个来源获得主要资金， 因此可以在其他 CRISP 条目中表示。列出的机构是 对于中心来说，它不一定是研究者的机构。 X 射线发射光谱为获取有关 Zn(II) 等闭壳金属电子结构的信息提供了前所未有的途径。 XES 允许直接探测填充的键合分子轨道，从而提供与光电子能谱法获得的信息相当的信息，但不会造成 PES 造成的辐射损伤。迄今为止，大多数 Zn XES 的研究都集中在离子晶格配合物上。我们建议为精心挑选的模型化合物开发一个 Zn XES 光谱模型库，并将该库应用于含锌烷基转移酶的研究。