MRI: Acquisition of a Modern Single Crystal X-ray Diffractometer for Research and Education

该奖项由主要研究仪器和化学研究仪器项目支持。北卡罗来纳大学教堂山分校正在获得一台单晶x射线衍射仪（SCXRD），以支持尤伟教授及其同事杰弗里·约翰逊、亚历山大·米勒、吉莉安·邓普西和亚历山大·朱霍夫维茨基。一般来说，x射线衍射仪可以精确测定分子的完整三维结构，包括键距和角度，并提供有关分子相对于晶格中邻近分子的空间排列的准确信息。这里描述的研究影响许多领域，包括有机和无机化学，材料化学，太阳能燃料生产和生物化学。该仪器是该机构化学和生物化学本科生和研究生的教学、研究和研究培训的组成部分，也是其他地区大学（如北卡罗来纳大学格林斯博罗分校、北卡罗来纳中央大学、杜克大学、埃隆大学、戴维森学院和东卡罗莱纳大学）的合作者。该衍射仪的奖项旨在加强各级的研究和教育。它特别影响了化学反应的发展和合成生物活性天然产物的反应策略的部署，重点是可持续催化。该仪器用于开发化学构件和燃料的可持续合成方法，并通过优化基本电子转移过程来提高太阳能燃料生产的效率。此外，它还有助于高价铁氧卟啉对未活化的sp3杂化碳氢键进行选择性羟基化的研究，以及开发对映选择性合成内酯和羟基酯的不对称方法的研究。该衍射仪还有助于探索共轭聚合物合成的催化作用，以及通过开发杂化钙钛矿来创建光电器件。该奖项反映了美国国家科学基金会的法定使命，并通过使用基金会的知识价值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. The University of North Carolina at Chapel Hill is acquiring a single crystal X-ray diffractometer (SCXRD) to support Professor Wei You and colleagues Jeffrey Johnson, Alexander Miller, Jillian Dempsey and Aleksandr Zhukhovitskiy. In general, an X-ray diffractometer allows for the accurate and precise determination 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 in the crystal lattice. The studies described here impact many areas, including organic and inorganic chemistry, materials chemistry, solar fuel production and biochemistry. This instrument is an integral part of teaching as well as research and research training of undergraduate and graduate students in chemistry and biochemistry at this institution as well as collaborators from other regional universities such as the University of North Carolina Greensboro, North Carolina Central University, Duke University, Elon University, Davidson College and East Carolina University.The award of this diffractometer is aimed at enhancing research and education at all levels. It especially impacts the development of chemical reactions and deployment of reaction strategies for the synthesis of bioactive natural products with an emphasis on sustainable catalysis. The instrumentation is used in the development of approaches to the sustainable synthesis of chemical building blocks and fuels and for improving efficiency in solar fuel production by optimizing fundamental electron transfer processes. In addition, it benefits studies of high-valent iron-oxo porphyrins that perform selective hydroxylations of unactivated sp3 hybridized carbon-hydrogen bonds and studies developing asymmetric methods for enantioselective synthesis of lactones and hydroxy esters. This diffractometer also benefits the exploration of catalysis for conjugated polymer synthesis, and the creation of optoelectronic devices through the development of hybrid perovskites.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.