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

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.

Version notes

Current version is 3rd

Content

Thumbnail image of MCR_Lacy.pdf
download asset MCR_Lacy.pdf 0.68 MB [opens in a new tab]

Supplementary material

Thumbnail image of DFT coordinates.zip
download asset DFT coordinates.zip 0.01 MB [opens in a new tab]
DFT coordinates