Mechanistic study on the enantiodivergent kinetic resolution of axial chiral binaphthol via the peptide-phosphonium salt-catalyzed Atherton–Todd reaction

The mechanism and roles of multiple non-covalent interactions in recognizing different P-species (int-A/int-B) and controlling the stereoselectivity of enantiodivergent kinetic resolution of BINOL were elucidated through DFT calculations.