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

30 July 2019, Version 4
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

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.

Keywords

O2 reduction
Marcus theory
Marcus cross relation
electron transfer
inorganic reaction mechanisms
Fe-superoxide

Supplementary materials

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DFT coordinates
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