Fig. 9. (a) Possible lactonization pathways for the DAL organocascade process. (b) Computed potential energy surface for the lactonization step of the DAL. Free energies (kcal mol–1) were calculated employing SMD(DCM)-M06-2X/6-31G(d). Intermediates and optimized TSSs for both endo (black) and exo (blue) pathways are shown. Selected bond distances are shown (Å).
