Figure 5.

A) Univariate correlation of experimental enantioselectivity (ΔΔG^‡ = –RTln(e.r.)) to the calculated LUMO energy of each vinyl bromide substrate. The line of best fit for the training set (red) was extended to the full range of values in the data set without recalculating the fit to include the validation set. B) LUMO energies likely reflect the ability of substrates to participate in π–π interactions. C) Representation of how catalyst 3c and substrate 2a may interact in the enantiodetermining transition state based on SAPT studies (R = CO₂CH₂C₆H₄(p-SF₅), one catalyst sidearm omitted for clarity).