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

该奖项由主要研究仪器项目和化学研究仪器项目支持。佛罗里达大学的Lisa McElwee-White教授和他的同事George Christou、Khalil Abboud、Ronald Castellano和Adam Veige获得了一台双源单晶X射线衍射仪。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，包括有机化学和无机化学、材料化学和生物化学。该仪器是该机构化学和生物化学专业的研究生和本科生的教学、研究和研究培训的组成部分。学生参加结晶学研究生课程和许多非正式课程，这些课程介绍现代自动化系统和用于结构解决方案和精炼的高级软件包。此外，在X光实验室注册从事研究的本科生将学习当前晶体结构测定的最佳实践。该建议旨在加强各级研究和教育。它特别影响了用于沉积无机材料的前驱体的设计和合成，以及通过氢键定向拓扑确定有机薄膜的介观有序性。该仪器还用于识别充当单分子磁体的过渡金属团簇，并有助于表征金属聚合物和高发射材料的点击合成产品。衍射仪在从海洋蓝藻中寻找抗癌药物方面也很有用。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了服务。该仪器还用于化学探针的研究，以确定非核糖体多肽生物合成的结构和机制。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. 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.