Upgrade of the Reseach / Teaching X-Ray Diffractometer at Duquesne University

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With support from the Chemistry Research Instrumentation (CRIF) Program, the Department of Chemistry at Duquesne University will upgrade a X-ray diffractometer with CCD detection and low temperature capabilities for small molecule diffractometry. This equipment will enhance research in a number of areas including the following: a) understanding coordination polymers, particularly for bimetallic systems; b) the ring-juncture geometry in stereoselective cyclizations of nitrile anions; and c) characterization of intermediates in the oxygen-atom transfer reaction catalyzed by molybdenum enzymes. The X-ray diffractometer allows accurate and precise measurements of the full three dimensional structure of a molecule, including bond distances and angles, and it provides accurate information about the spatial arrangement of the molecule relative to the neighboring molecules. These studies will have an impact in a number of areas, including materials chemistry and the preparation of more efficient catalysts.