MRI: Acquisition of a modern single-crystal X-ray diffractometer with a high dynamic range detector

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This award is supported by the Major Research Instrumentation and the Chemistry Instrumentation Programs. Professor Ilia Guzei from the University of Wisconsin-Madison and colleagues are acquiring a single crystal diffractometer equipped with a sensitive wide-field detector system and a copper source. In general, an X-ray diffractometer (XRD) allows accurate and precise measurements of the full three-dimensional structure of a molecule, including bond distances and angles. XRD also provides accurate information about the spatial arrangements of a molecule relative to neighboring molecules. The studies described here impact many areas, including organic and inorganic chemistry, materials chemistry and biochemistry. The X-ray laboratory personnel utilize the diffractometer to foster an inclusive climate for underrepresented minority, low-income, and/or first-generation graduate students. In addition, the laboratory plays an important role in strengthening the relationship between the University and Wisconsin citizens through an outreach program for middle and high school students and by working closely with other programs advocating the importance of science, research, and education to the public.The award of the X-ray diffractometer is an integral part of teaching as well as research and research training of undergraduate, graduate students and postdoctoral fellows in chemistry and biochemistry at this institution. The instrument acquisition award is aimed at enhancing research and education at all levels. The XRD will impact research areas involving the development of catalysts for aerobic oxidation and the characterization of molecules and proteins that wrap around themselves, commonly called foldamers. It is also used in studies aimed at decoding bacterial communication and for carrying out enantioselective photocatalysis. The diffractometer is used in engineering biocatalysts, characterizing transition metal compounds, and understanding the structure and function of bioactive molecules.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.