MRI: Acquisition of a Single Crystal X-ray Diffractometer for Research, Training, and Teaching

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With this award from the Major Research Instrumentation Program (MRI) and support from the Chemistry Research Instrumentation Program (CRIF), Professor Kying Ding from Middle Tennessee State University and colleagues Piotr Kaszynski, Scott Handy, Tibor Koritsanszky and Anatoliy Volkov have acquired a single crystal X-ray 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. It also provides accurate information about the spatial arrangement of a molecule relative to neighboring molecules. These studies impact a number of areas, including organic and inorganic chemistry, materials chemistry and biochemistry. This instrument is an integral part of teaching as well as research and training of undergraduate students in chemistry and biochemistry. Collaborators from regional institutions such as the universities Motlow State, Volunteer State, Nashville State, Fisk, Alabama A&M, East Tennessee State, Austin Peay, Belmont, Lipscomb, Memphis and Central Arkansas also use the instrument. The award is aimed at enhancing research and education at all levels, especially in areas such as: (a) characterizing molecular geometry in non-precious metal organometallic catalysts and intermediates, (b) confirming stereoisomers and molecular geometry in families of organic compounds, (c) determining intermolecular associations in heterocyclic stable radicals, liquid crystals and dyes, (d) incorporating high resolution charge-density data for small- and medium-sized structures into charge density calculations, (e) carrying out preliminary measurements before neutron and X-ray synchrotron diffraction studies, and (f) collecting structural data that can be used in computational predictive modeling.