Acquisition of a Single-Crystal X-Ray Diffractometer with a CCD Area Detector and a High-Quality Optical Microscope

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With support from the Chemistry Research Instrumentation and Facilities - Multiuser Instrument Acquisition (CRIF-MU) Program, the Department of Chemistry at the University of Notre Dame will purchase a single-crystal X-ray diffractometer with CCD detection and an optical microscope. This acquisition would enable a number of research projects, including studies on a) main-group metals and semimetals in negative oxidation states; b) hypoelectronic metallaboranes; c) s-block metal aggregates as synthons in supramolecular synthesis; d) the synthesis and characterization of metalloporphyrin complexes; e) supramolecular chemistry; and f) comformation-activity relationships in polyketide natural products. A trained crystallographer will be responsible for training new users and that the equipment will be used in a graduate level course. In addition, there is a very strong effort to recruit and retain minority students and the McNair program brings roughly 30 minority undergraduates to campus each summer. 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 a strong impact in materials chemistry.