Selectivity in catalysis is influenced by the specific alignment and interaction of molecular orbitals. A catalyst designed to favor the formation of a particular product will have molecular orbitals that preferentially stabilize the transition state leading to that product. For example, in enantioselective catalysis, chiral catalysts are designed so that their molecular orbitals interact more favorably with one enantiomer over the other, leading to the selective production of one enantiomer.
