Fig. 6: DFT calculations of the electrophilic addition transition states.

The geometries and free energy profiles of the four transition states, TS1-S, TS1-R, TS2-R, and TS2-S, leading to the formation of chiral thiiranium ions. All hydrogen atoms are omitted for clarity, except those used to indicate interatomic distances. Bond distances are given in angstroms.