Computational Investigation of Dichloromethane Ligand Substitution in the Enantiopure Cation [(η5-C5H5)Re(NO)(PPh3)(ClCH2Cl)]+, a Functional Equivalent of a Chiral Lewis Acid

The dichloromethane ligand of [(η5-C5H5)Re(NO)(PPh3)(ClCH2Cl)]+ X– (1+ X–) can be displaced by a variety of ligands (:L), always with retention of configuration at rhenium. Reactions are first orde...