<br/>Our current research efforts comprise several variations on a theme of understanding how non-covalent interactions can influence spin states, magnetic interactions, and reactivity in base metal-centered complexes. We seek detailed knowledge of the properties of Earth-abundant compounds, and accurate descriptions and synthetic control of electronic structure in ground and (photo)excited states. In the first part of the talk, I will present results related to the interplay of intermolecular interactions and ligand field in mononuclear Fe, Co and Ni complexes, toward guest control of host magnetic properties. In the second part of the talk, I will present results related to the application of some of these observations toward understanding 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 latter part of the presentation is supported by the Catalysis Collaboratory for Light-activated Earth Abundant Reagents (C-CLEAR), a NSF-EPA supported group that aims to replace expensive and/or toxic 1-electron reagents with catalytic processes, toward sustainable synthesis of complex molecules relevant to high-value chemicals and pharmaceuticals.

Using noncovalent interactions to control molecular magnetism and (photo)reactivity

2019 Spring National Meeting

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