In the Catalysis Collaboratory for Light-activated Earth Abundant Reagents (C-CLEAR), we seek detailed knowledge of the properties of Earth-abundant compounds, accurate descriptions and synthetic control of electronic structure in ground and (photo)excited states, and control of catalytic reactions. The emerging hypothesis is that control of electron spin at the level of chemical synthesis will enable novel and scalable solutions to some of the most pressing sustainability challenges facing humanity. Our current efforts comprise several variations on a theme of understanding how non-covalent interactions can influence spin states and reactivity in base metal-centred complexes. We have applied some of these observations toward the investigation of reaction mechanism(s) in photocatalytic Diels Alder cycloadditions mediated by Cr(III) complexes. Spin considerations in photocatalyst interaction with substrates and dioxygen generate significant effects on observed products and pathways. The syntheses, structural and magnetic characterizations, and electronic structure calculations for key components of these and related complexes will be presented.

Understanding and harnessing spin in photoredox catalysis using first row transition series complexes

254th National Meeting (2017)

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