MRI: Acquisition of Single-Crystal Diffractometer for Small Molecule Crystallography and Cryosystem

该奖项由主要研究仪器和化学研究仪器计划共同支持。哈佛大学正在购买一台双源单晶衍射仪，该仪器配备有高通量Cu和Mo微焦点X射线源、增强型探测器和低温设备，以支持西奥多·贝特利教授及其同事贾拉德·梅森、丹尼尔·诺塞拉和郑绍良的研究。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许多领域，包括有机和无机化学，材料化学，生物化学和催化。该仪器是该机构化学和生物化学本科生和研究生教学、研究和研究培训的组成部分。该设施作为区域XRD资源，通过与韦尔斯利学院的研究人员积极合作，使马萨诸塞州和周围新英格兰地区的主要本科院校的学生和教师受益。该奖项旨在加强各级研究和教育。该仪器的研究重点是有机合成、光氧化还原催化、C-H键氧化和功能化催化、有机催化、反应中间体分离、化学治疗开发、小分子活化、新型磁性材料合成、可调金属有机相变材料、压热响应材料和多孔网络材料。此外，新的衍射仪将用于探测光激发态和热驱动的转换在原位衍射收集。这个奖项反映了NSF的法定使命，并已被认为是值得支持的评估使用基金会的智力价值和更广泛的影响审查标准。

This award is jointly supported by the Major Research Instrumentation and the Chemistry Research Instrumentation Programs. Harvard University is acquiring a dual-source single crystal diffractometer equipped with high-flux Cu and Mo microfocus X-ray sources, an enhanced detector, and a cryogenic device to support the research of Professor Theodore Betley and colleagues Jarad Mason, Daniel Nocera, and Shao-Liang Zheng. 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, biochemistry, and catalysis. 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. The facility serves as a regional XRD resource benefitting students and faculty from primarily undergraduate institutions within the Commonwealth of Massachusetts and surround New England regions with impacts through active collaborations with researchers at Wellesley College.The award is aimed at enhancing research and education at all levels. Research enabled by the instrument is focused on organic synthesis, photoredox catalysis, C-H bond oxidation and functionalization catalysis, organocatalysis, reactive intermediate isolation, chemotherapeutic development, small molecule activation, novel magnetic material synthesis, tunable metal-organic phase- change materials, barocaloric responsive materials, and porous network materials. Furthermore, the new diffractometer will be utilized in probing both photo excited state and thermally driven transformation during in situ diffraction collection.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.