MRI: Acquisition of a Single Crystal X-Ray Diffractometer for Structure Determination and Diffuse Scattering on Small Molecules, Macromolecules, and Materials

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This award is supported by the Major Research Instrumentation and the Chemistry Research Instrumentation programs. Professor Elizabeth Papish from University of Alabama Tuscaloosa and colleagues Kevin Shaughnessy, Paul Rupar, Jack Dunkle and Jared Allred have acquired a dual source single crystal diffractometer equipped with a high resolution detector. 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 and biochemistry. This instrument is an integral part of teaching as well as research and research training of graduate and undergraduate students in chemistry and biochemistry at this institution. Students are involved in chemical and protein research. The resource is also utilized by several neighboring primarily undergraduate institutions and historically black colleges and universities (HBCUs). The award of the diffractometer is aimed at enhancing research and education at all levels. It especially impacts the characterization of solid materials and new polymers to harness solar energy and studies of diffuse X-ray scattering to determine how local changes in structure lead to macroscopic properties. The instrumentation is also used for studies following the syntheses of monodisperse small nanomolecules and the design of catalysts for carbon dioxide reduction and cross-coupling. The diffractometer benefits studies of biological macromolecules to understand gene expression and antibiotic resistance.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.