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

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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.