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项目和化学研究仪器项目支持。密苏里大学圣路易斯分校(UMSL)的Nigam Rath教授和他的同事William Tollman已经获得了一台单晶衍射仪，配备了一个铜微焦点光源和一个高灵敏度的探测器。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。这种新仪器改变了用户进行化学研究的方式。区域化学本科生和非博士生机构，如韦伯斯特大学和位于爱德华兹维尔的南伊利诺伊大学，都可以使用这种先进的仪器。外展计划通过参与实践活动、演示和使用教学模块来推进高中和UMSL本科生的STEM课程。该计划旨在加强各级的研究和教育。它尤其影响弱衍射晶体的单晶结构的确定，金属酶活性中心的铜络合物模型的使用和可持续聚合物合成催化剂的开发，以及电活性和多孔材料的模板指导合成的使用。该衍射仪还可用于构建手性有机金属结构作为手性催化剂，探索金属卤化物和金属氧化物簇合物的超分子合成，以及研究糖基化反应和复杂寡糖的合成。该仪器还用于合成两亲化合物的表征，用于在韦伯斯特大学进行的研究中控制有机固态的化学。该衍射仪还为开展有机金属高价第10族过渡金属络合物结构和反应性研究的研究人员提供服务。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 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.