With this award from the Chemistry Research Instrumentation and Facilities: Multi-user (CRIF:MU) program, Professor Karin Ruhlandt-Senge and colleague Jon Zubieta from Syracuse University will acquire a single-source single crystal X-ray diffractometer equipped with a low temperature device. The proposal is aimed at enhancing research training and education at all levels, especially in areas of study such as (a) new reagents, polymerization initiators and superbases, (b) solid-state coordination chemistry of organic/inorganic hybrid materials (c) use of terahertz (far-infrared, <200 wavenumbers) vibrational spectroscopy, (d) studies of inorganic pyrophosphate, (e) single crystal X-ray analysis of semiconductive quantum dot precursor complexes (f) solar cell design that produce photocurrent from low-energy, near-IR photons, as well as (g) molecular mechanisms for the assembly and regulation for the MLLI core complex.
An X-ray diffractometer allows accurate and precise measurements of the full three dimensional structure of a molecule, including bond distances and angles, and provides accurate information about the spatial arrangement of a molecule relative to neighboring molecules. The studies described here will impact a number of areas, including organic and inorganic chemistry, materials chemistry and biochemistry. This instrument will be an integral part of teaching as well as research and will also be available to local academic institutions for research and teaching purposes, including LeMoyne College, SUNY Onondaga Community College, SUNY Cortland, SUNY Oswego, King's College and Hamilton College.
The upgrading of our single crystal x-ray diffraction facility has had a dramatic impact on research in five areas of significant contemporary interest: (i) solid state coordination chemistry of metal oxides and related materials; (ii) alkaline earth metal compounds as CVD precursors, in bone therapy and hydrogen storage; (iii) polymorphs; (iv) vanado-phosphate catalysts; and (v) the design of radiopharmaceuticals. An example of the coordination polymer class of materials is provided by the two-dimensional structure of [{Cu3(bpy)2}Mo2F2O4(H2O)2 (1,3-xylyldiphos)2] shown in Fig.1, a material constructed from three distinct building units to provide a hierarchical material. As a further example, the urea inclusion compound (UIC) with (E,E)-1,4-diiodo-1,3- butadiene (DIBD) as a guest (DIBD:UIC) is shown in Fig. 2. We have also prepared and characterized a family of novel magnesium MOF with various guests, where the pe size varies with the guest inclusion. These compounds display magnesium MOF's with the largest pore size to date. This material is being examined for it's thermal and gas storage properties. We also ahve prepared three-dimensional, biocompatible calcium phosphonate materials that are being examined as novel additives to bone cements. The materilas are being tested for this purpose. Other work includes the preparation of novel singel source precursors or the ceation of novel electronic materials. The work in these areas illustrates the crucial role of structural data in the design of new materials and in the elaboration of strategies to enhance the useful physical properties of existing and new classes of materials.
