MRI: Acquisition of a Variable-Temperature, Dual-Wavelength, Single-Crystal X-Ray Diffractometer

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This award is supported by the Major Research Instrumentation and the Chemistry Research Instrumentation programs. Professor Leonard MacGillivray from University of Iowa and colleagues James Gloer, Christopher Pigge, Gregory Friestad and Scott Daly have acquired a dual source single crystal diffractometer. 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, medicinal chemistry, pharmacy and biochemistry at this institution. It also provides crystallographic services free of charge to faculty and student researchers in primarily undergraduate institutions that do not possess single-crystal X-ray diffractometers in eastern Iowa, western Illinois, and northern Missouri.The proposal is aimed at enhancing research and education at all levels. It especially impacts studies on effects of noncovalent bonding in molecular solids and exploration of templated solid-state reactions. The diffractometer aids the characterization of synthesized compounds using non-innocent ligands, and those having soft-donor ligands with f-elements. The instrument is essential for studies coupling earth-abundant metals with non-innocent ligands to be used in electrochemical carbon dioxide reduction. It is also useful in designing catalytic carbon-hydrogen activation with N-acylhydrazones and for studying reactivity and selectivity in radical polar crossover reactions.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.