Purchase of a Single Crystal X-Ray Diffractometer

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With support from the Chemistry Research Instrumentation and Facilities (CRIF) Program, the Department of Chemistry at Virginia Polytechnic Institute and State University will acquire a X-ray diffractometer with CCD detector for small molecule diffractometry. This equipment will enhance research in a number of areas including the following: a) analysis of endohedral fullerenes (Dorn); b) structure-function relationships of natural products exhibiting anticancer activity (Kingston); c) studies on rotaxanes and pseudorotaxanes (Gibson); d) studies on the structure, physical properties and reactivity of perfluoroarylated transition metal cyclopentadienyl complexes (Deck); e) investigations of catalysis using metal complexes of polysulfonated triarylphosphines in aqueous and biphasic solvents (Hanson); and f) studies on charge-transfer molecular magnets (Yee).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 the preparation of more efficient catalysts; materials chemistry; pharmaceutical chemistry; and biochemistry.