Inorganic Chemistry

Applications of the Marcus cross relation to inner sphere O2 reduction: Implications in Small-Molecule Activation

David Lacy University at Buffalo, the State University of New York


The Marcus cross relation has been used for outer sphere electron transfer, proton transfer, hydride transfer, and proton-coupled electron transfer. This work shows that the same Marcus cross relation is useful in determining rate constants for inner sphere reduction of molecular oxygen. This has many implications in the field of small molecule activation in the form of catalyst design and as an indirect mechanistic probe.

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Current version is 3rd


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Supplementary material

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DFT coordinates