Water oxidation and CO2 reduction catalysis are key reactions for the development of clean and renewable energy. Detailed mechanistic studies for these two reactions will be discussed. For water oxidation, O-O bond formation is the key step. It accounts for ~70% of the free energy requirement for this energetically and mechanistically demanding half-reaction. Two competing mechanisms will be compared for molecular ruthenium-based water oxidation catalysts: water nucleophilic attack on a high-valent metal-oxo and O-O coupling between two high-valent metal-oxo moieties. Experimental results, as well as complementary DFT calculations, will be discussed, including kinetic activation parameters. In addition, new catalysts for selective electrochemical, low-overpotential reduction of CO2 to formate in aqueous solution will be presented.

Homogeneous water oxidation and CO2 reduction: Catalysts and mechanisms

253rd National Meeting (2017)

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