Lewis Base Promoters in the Pauson–Khand Reaction: A Different Scenario

Abstract

Irreversiblity effect: The fundamental role of Lewis base promoters L in the Pauson–Khand reaction was studied by DFT calculations. Contrary to the currently held view, these promoters do not accelerate the departure of a second CO ligand from the acetylene dicobalt complex to create the requisite site for olefin coordination, but stabilize the olefin-insertion product (see scheme), so that product formation is essentially irreversible.