Cobalt-catalysed unactivated C(sp³)–H amination: two-state reactivity and multi-reference electronic character

A remarkable two-state reactivity scenario and an unusual multi-reference character have been computationally found in Co-catalysed C(sp³)–H amination. In addition, the investigation on the additive, aminating reagent, metal center, and auxiliary ligand provides implications for development of new catalytic C–H functionalization...