MRI: Acquisition of a Single Crystal X-Ray Diffractometer to Advance Regional Collaboration in Chemical Crystallography

该奖项由主要研究仪器和化学研究仪器计划支持。 密苏里大学圣路易斯分校（UMSL）的Nigam拉特教授和同事William Tollman获得了一台配备铜微焦点源和高灵敏度检测器的单晶衍射仪。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。新仪器改变了用户进行化学研究的方式。区域化学本科和非博士光栅机构，如韦伯斯特大学和南伊利诺伊大学爱德华兹维尔分校有机会使用这种先进的仪器。外展计划通过参与实践活动，演示和获得教学模块来推进高中和UMSL本科生的STEM课程。该提案旨在加强各级研究和教育。它特别影响弱衍射晶体的单晶结构测定，金属酶活性位点的铜络合物模型的使用和可持续聚合物合成的催化剂开发，以及电活性和多孔材料的模板导向合成的应用。该衍射仪还用于创建手性有机金属结构，用作手性催化剂，探索金属卤化物和金属氧化物簇的超分子合成，并用于研究糖基化反应和复杂寡糖的合成。该仪器还用于表征合成的两亲物，在韦伯斯特大学进行的研究中控制有机固态的化学。该衍射仪还为研究人员进行有机金属高价第10族过渡金属配合物的结构和反应性研究提供服务。该奖项反映了NSF的法定使命，并且通过使用该基金会的知识价值和更广泛的影响进行评估，被认为值得支持审查标准。

This award is supported by the Major Research Instrumentation and the Chemistry Research Instrumentation programs. Professor Nigam Rath from University of Missouri-Saint Louis (UMSL) and colleague William Tollman have acquired a single crystal diffractometer equipped with a copper microfocus source and a highly sensitive detector. 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. The new instrument transforms how users approach chemical research. Regional chemistry undergraduate and non-PhD grating institutions such as Webster University and Southern Illinois University at Edwardsville have access to this advanced instrumentation. Outreach programs advance STEM curricula for high school and UMSL undergraduate students via participation in hands-on activities, demonstrations and access to teaching modules.The proposal is aimed at enhancing research and education at all levels. It especially impacts single crystal structure determination of weakly diffracting crystals, the use of copper complex models of metalloenzyme active sites and catalyst development for sustainable polymer synthesis, and employment of template-directed syntheses of electroactive and porous materials. The diffractometer is also used to create chiral organometallic architectures to be used as chiral catalysts, the exploration of supramolecular synthesis of metal halide and metal oxide clusters, and for investigating the glycosylation reaction and the synthesis of complex oligosaccharides. The instrument is also used for the characterization of synthesized amphiphiles, for controlling the chemistry of the organic solid state in studies carried out at Webster University. The diffractometer also serves researchers carrying out structural and reactivity studies of organometallic high-valent group 10 transition metal complexes.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.