Penta- versus hexa-coordinated iridium catalysts control the reactivity of the direct reductive amination between aliphatic amines and aliphatic ketones: a DFT-guided mechanism

Abstract

The mechanism of the iridium-catalysed direct reductive amination between aliphatic partners was studied by DFT calculations leading to important changes in the rate-determining step depending on the nature of the ligand coordinating to iridium.