MRI: Acquisition of a Single Crystal X­-ray Diffractometer (SC-XRD) to Strengthen Research in RI and Greater New­ England

该奖项由主要研究仪器项目和化学研究仪器项目支持。布朗大学正在购买一台单晶X射线衍射仪(SCXRD)，以支持杰罗姆·罗宾逊教授及其同事王来胜、明贤、金恩锡和保罗·威廉。通常，X射线衍射仪可以准确和精确地测量分子的完整三维结构，包括键距离和角度，并提供关于分子相对于邻近分子的空间排列的准确信息。这里描述的研究影响到许多领域，包括有机和无机化学、材料化学和生物化学。该仪器是化学和生物化学本科生和研究生以及来自新英格兰地区11所地区大学的合作者的教学、研究和研究培训的组成部分。授予该衍射仪的目的是加强各级的研究和教育，特别是在各个领域。它尤其影响到铜的反应性多核还原氧物种和合成生物可降解聚合物的催化剂的结构的阐明，以及与铁硫簇合物相关的活性中间体的表征以及它们与硫化氢、一氧化二氮和氧物种的反应活性。该仪器还可用于确定金和金氢化物簇合物的结构和双正交活性硫物种的绝对结构。该仪器还服务于研究人员建立有机锂聚集体的结构，这是理解丰富的碳-碳键形成反应的选择性的关键。在邻近机构使用衍射仪的一些项目包括阐明可能具有治疗性质的金属小肽的结构(罗德岛大学)、确定O-GlcNAcase小分子抑制剂的结构(Bryant U)以及确定潜在的铁基二氧化碳还原催化剂的催化中间体(普罗维登斯学院)。康涅狄格州大学另外两个也使用衍射仪的项目是确定二氧化碳的电催化和光催化还原所涉及的催化剂中间体的结构，以及建立铜和稀土络合物的固态结构-功能关系，这些络合物显示出一些最明亮的圆偏振发光。该奖项反映了NSF的法定使命，并通过使用基金会的智力优势和更广泛的影响审查标准进行评估，被认为值得支持。

This award is supported by the Major Research Instrumentation and the Chemistry Research Instrumentation programs. Brown University is acquiring a single crystal X-ray diffractometer (SCXRD) to support Professor Jerome Robinson and colleagues Lai-Sheng Wang, Ming Xian, Eunsuk Kim and Paul Williard. In general, an X-ray diffractometer allows accurate and precise measurements of the full three-dimensional structure of a molecule, including bond distances and angles, and provides accurate information about the spatial arrangement of a molecule relative to neighboring molecules. The studies described here impact many areas, including organic and inorganic chemistry, materials chemistry, and biochemistry. This instrument is an integral part of teaching, research and research training of undergraduate and graduate students in chemistry and biochemistry as well as collaborators from eleven regional universities in the New England area. The award of this diffractometer is aimed at enhancing research and education at all levels, especially in areas. It especially impacts the elucidation of the structures of reactive multinuclear reduced oxygen species of copper and catalysts for the synthesis of biodegradable polymers and the characterization of reactive intermediates relevant to iron-sulfur clusters and their reactivity with hydrogen sulfide, nitrous oxide, and oxygen species. The instrumentation is also used for determining the structure of gold and gold hydride clusters and the absolute structure of species derived from biorthogonal reactive sulfur species. The instrument also serves researchers establishing the structure of organolithium aggregates which are key to understand selectivity for abundant carbon–carbon bond forming reactions. Some projects using the diffractometer fro neighboring institutions involve elucidation of the structures of metal-based small-peptide with possible therapeutic properties (U Rhode Island) and determining the structure of small molecule inhibitors of the enzyme O-GlcNacase (Bryant U) and identifying potential catalytic intermediates of iron-based carbon dioxide reduction catalysts (Providence College). Two additional projects from U Conn that also utilize the diffractometer are the determination of the structure of catalyst intermediates involved in electrocatalytic and photocatalytic reduction of carbon dioxide and the establishment of the solid-state structure-function relationships for complexes of copper and the lanthanides which display some of the brightest circularly-polarized luminescence.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.