High-Resolution Spectroscopy of 3d Metal-Containing Compounds: Insights into Bond Activation, Catalysis, and Synthesis

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Professor Lucy Ziurys of the University of Arizona is supported by the Chemical Structure, Dynamics and Mechanisms Program to investigate model systems of relevant 3d transition metal compounds using high resolution gas-phase spectroscopy in the range of 4 - 850 GHz. This technique is particularly useful in the investigation of such species because basic molecular properties can be directly extracted from the spectra. The molecules of interest are almost entirely free radicals and molecular ions, and fall into five classes: 1) methane insertion products HMCH3, such as HCoCH3; 2) early 3d metal cyanides/isocyanides ScNC, TiNC, VCN/VNC; 3) metal hydroxides MOH, including MnOH and FeOH; 4) metal monoacetylides MCCH, such as TiCCH; and 5) MO+ metal oxide cluster ions. The study of these molecules will provide fundamental information for the understanding of C-H bond activation, mechanisms of MO+ catalysts, and the interaction of 3d metals with H2O and the CN moiety, relevant to biology and surface science, as well the basic knowledge of how metals bond to other functional groups.Transition metals play a wide and varied role in modern chemistry, including organic and inorganic synthesis, industrial catalysis, materials science, and in biomedical sciences. Despite their ubiquitous presence in both industrial and academic sectors, the chemistry of transition metals is far from understood. The investigations proposed will provide transformative insights into this chemistry.The millimeter/sub-mm technologies being developed in the Ziurys group in the context of this proposal are also applicable to analytical chemistry and poison-gas detection for Homeland Security. Finally, the proposed studies have important and potentially far-reaching consequences for the chemical industry, in particular, in catalyst design and the conversion of inert alkanes into useful products. This research project will lead to new knowledge about transition metals and molecules that could impact numerous applications such as catalyst design. Students who work on this project are being educated in experimental techniques in physical chemistry, and being prepared for challenging technical careers.