Probing the Metal-Carbon Bond: High Resolution Spectroscopy of Grignard Reagents and 3d Metal Carbon Clusters

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In this project funded by the Chemical Structures, Dynamics, and Mechanisms-A Program, Professor Lucy M. Ziurys of the University of Arizona is exploring the chemical structure and behavior of small, novel compounds that contain metal-carbon bonds. Of particular interest are the so-called transition metal elements like iron (Fe), copper (Cu), cobalt (Co) and titanium (Ti). Understanding how metal elements interact and bond with carbon is pivotal to the advance of many other areas of chemistry and technology, including organic and inorganic chemical synthesis, catalysis, materials science, biochemistry, and even astrochemistry. Using a microwave spectroscopy technique, Prof. Ziurys is studying the arrangement of atoms and electrons in these model molecules. The information obtained then provides important insights into larger, more complex molecules and in developing theoretical predictions. The research involves a collaborative team of experimentalists and theorists, with an emphasis on both graduate and undergraduate education. Professor Ziurys is studying the geometric and electronic properties of metal-bearing molecules using high-resolution, gas-phase rotational spectroscopy techniques. The novel species being studied are small, metal carbon clusters related to metallocarbohedrenes and endohedral metallofullerenes, and classic Grignard-type reagents. They are produced by gas-phase synthetic methods utilizing Broida ovens, organometallic precursors, and laser ablation. In addition, a new spectrometer is being built to further these studies. A program has been established for undergraduate students from other, non-PhD granting institutions to participate in this research project. The broader impacts of this work include the development of millimeter/sub-millimeter experimental methodologies that are applicable to analytical chemistry and the detection of trace species in chemical mixtures. Additionally, this research is providing student training in precision measurements and experimental techniques, theory, and synthesis involving metals, all of which are skill sets relevant to the chemical, catalysis, mining, medical, and semiconductor industries.