Fig. 4: Computed energy profile of model catalytic reaction (in kcal/mol).
From: Superacid counteranion as flexible-coordinating ligand for asymmetric organo-bismuth catalysis
*Transition states that were not located on their electronic energy surfaces are marked with asterisks. DFT calculations were performed at SMD(toluene) M06-2X/{6-311 + G**/def2-TZVPP for Bi}//{6-31 G**/SDD} level of theory. Ac acetyl, Bpin boronic acid pinacol ester, ee enantiomeric excess, OAc acetate, Ph phenyl, PMB p-methoxybenzyl, TS transition state.
