MRI: Acquisition of a Single Crystal X-ray Diffractometer to Support Research from Fundamental Chemistry to Functional Materials and Biomedical Applications

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This award is supported by the Major Research Instrumentation and the Chemistry Research Instrumentation programs as well as the Established Program to Stimulate Competitive Research (EPSCoR). Kansas State University is acquiring a single crystal X-ray diffractometer to support Professor Christer Aakeroy and colleagues Duy Hua and Stefan Bossmann. 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. A diffractometer also provides accurate information about the spatial arrangement of a molecule relative to neighboring molecules. The research may 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 undergraduate and graduate students in chemistry and biochemistry as well other departments at this institution. The science enabled by this instrument has the potential to impact society through the development of new materials to address environmental pollution and new catalysts to improve the synthesis of commodity and industrial chemicals. In addition, the instrumentation provides direct research experience to local students and serves as a resource to Kansas Wesleyan University and the University of Kansas. The award of the X-ray diffractometer is aimed at enhancing research and education at all levels. The science enabled by this instrument provides relevant societal benefits through the determination of structures of small molecules with biomedical implications and starting materials for the conversion of modifiable-metal-organic frameworks into biomimetic catalytically functional materials. The instrumentation is used to investigate chalcogen bonds and explore regiochemistry of carbon-hydrogen bond oxidation of acyclic alkanes. In addition, researchers benefit from the ability to examine small-molecule and nutrient and contaminant transformations in soil. The diffractometer is also used to understand molecular mechanisms of dye-decolorizing peroxidases.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.