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

该奖项由主要研究仪器项目和化学研究仪器项目共同支持。哈佛大学正在购买一台双源单晶衍射仪，配备高通量铜和钼微焦点X射线源，一个增强型探测器和一个低温装置，以支持西奥多·贝特利教授及其同事贾拉德·梅森、丹尼尔·诺切拉和郑少良的研究。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、生物化学和催化。该仪器是该机构化学和生物化学专业本科生和研究生教学、科研和培训不可或缺的一部分。该设施是一个地区性的可持续发展研究资源，通过与韦尔斯利学院的研究人员积极合作，使来自马萨诸塞州联邦和新英格兰周边地区的本科生和教职员工受益。该奖项旨在加强各级研究和教育。该仪器的研究重点集中在有机合成、光氧化还原催化、C-H键氧化和官能化催化、有机催化、活性中间体分离、化疗开发、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等方面。此外，新的衍射仪将用于探测原位衍射收集过程中的光激发态和热驱动转变。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 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.