Can one oxidize an atom by reducing the molecule that contains it?

Negative values for the condensed Fukui function are identified as the key to designing molecules in which reduction of the molecule is associated with oxidation of one of the atomic centers, or vice versa. Sufficient conditions for negative condensed Fukui functions are derived, and metal complexes are identified as likely candidates for this exotic redox chemistry. Based on our theoretical understanding of where negative values of the Fukui …