MRI: Acquisition of an X-Ray Diffractometer for Next Generation Functional Molecules and Materials

该奖项由主要研究仪器和化学研究仪器计划支持。来自佛罗里达大学的丽莎·麦克尔维-怀特教授及其同事乔治·克里斯托、哈利勒·阿布德、罗纳德·卡斯特拉诺和亚当·维格获得了一台双源单晶X射线衍射仪。一般来说，X射线衍射仪允许准确和精确地测量分子的完整三维结构，包括键距和角度，并提供关于分子相对于相邻分子的空间排列的准确信息。这里描述的研究影响了许多领域，包括有机和无机化学，材料化学和生物化学。该仪器是该机构化学和生物化学研究生和本科生教学和研究及研究培训的组成部分。学生参加研究生晶体学课程和许多非正式课程，介绍现代自动化系统和先进的软件包，用于结构解决方案和改进。此外，注册在X射线实验室进行研究的本科生可以学习当前晶体结构测定的最佳实践。该提案旨在加强各级研究和教育。它特别影响到无机材料沉积前体的设计和合成，以及通过氢键定向拓扑结构确定有机膜中的介观有序。该仪器还用于识别表现为单分子磁体的过渡金属簇，并有助于表征金属聚合物和高发射材料的点击合成产物。该衍射仪还可用于从海洋蓝藻中寻找抗癌药物。该仪器还为研究人员开发胺的官能化策略和制备手性联芳基杂环作为对映选择性催化的配体提供服务。该仪器还用于化学探针的研究，以确定非核糖体肽生物合成的结构和机制。该奖项反映了NSF的法定使命，并已被认为是值得通过使用基金会的智力价值和更广泛的影响审查标准进行评估的支持。

This award is supported by the Major Research Instrumentation and the Chemistry Research Instrumentation programs. Professor Lisa McElwee-White from University of Florida and colleagues George Christou, Khalil Abboud, Ronald Castellano and Adam Veige have acquired a dual source single crystal X-ray diffractometer. 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 as well as research and research training of graduate and undergraduate students in chemistry and biochemistry at this institution. Students enroll in a graduate crystallography course and the many informal classes that introduce modern automated systems and advanced software packages for structure solution and refinement. Moreover, undergraduate students who register to do research in the X-ray lab learn current best practices for crystal structure determination.The proposal is aimed at enhancing research and education at all levels. It especially impacts the design and syntheses of precursors for deposition of inorganic materials and the determination of mesoscale order in organic films via hydrogen bond directed topology. The instrument is also used in the identification of transition metal clusters that behave as single-molecule magnets and aids in characterizing products of click synthesis of metallopolymers and highly emissive materials. The diffractometer is also useful in the search for anticancer agents from marine cyanobacteria. This instrument also serves investigators developing strategies for the functionalization of amines and preparing chiral biaryl heterocycles as ligands for enantioselective catalysis. The instrumentation is also used in the study of chemical probes to determine the structure and mechanism of nonribosomal peptide biosynthesis.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.