Multinuclear transition metal compounds

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The proposed work consists of two aspects: (1) modeling of the oxygen evolving center (OEC) in photosystemII (PSII), and (2) developing multifunctional catalysts for small molecule activation. (1) OEC Modeling: Nature uses solar energy to convert water into oxygen gas in green plants and algae to supply the whole world. This photochemical water oxidation process occurs at the OEC in PSII. A recent crystal structure determination of PSII revealed the structure of the OEC as a asymmetric manganese cluster with a calcium ion as a cofactor. We are looking to synthesize model compounds that closely resemble the OEC both structurally and functionally, in order to probe the mechanism of the oxygen evolving process. Information gained from this research will help design efficient photochemical water-splitting system to support the world with a clean, light and high energy fuel --hydrogen gas. (2) Multifunctional Catalyst: Due to the importance of developing processes for the efficient utilization of hydrocarbon resources, alkane activation and functionalization continue to be an important area in modern chemistry. The controlled activation of small molecules, such as dioxygen, dinitrogen, carbon monoxide, and carbon dioxide, is an intense area of study with the ultimate goals of controlled dioxygen-based oxidation, carbon recycling, and nitrogen fixation. Again nature has developed enzymes to do these jobs efficiently under relatively mild conditions, owning to the cooperative actions between multi-components at the active sites of enzymes. Our goal is to learn from Nature and design multi-functional compounds to catalyze small molecule activation in combination with alkane functionalization through the cooperative action of each subunit. This research may lead to new catalytic systems that are more efficient than the conventional mono-functional systems.