Computational Aspects In Supramolecular Chemistry: Chiral Discrimination In Chromatography
Published 1994 · Chemistry
The supramolecular assemblies that form during chiral chromatographic resolution of enantiomers are diastereomeric. A variety of computational approaches are used to discern where and how chiral discrimination takes place on increasingly more complex chiral stationary phases (CSPs) beginning with simple brush-like CSPs, and continuing to macrocyclic cyclodextrins and chiral polymers like cellulose triacetate. In all cases computational chemistry provides detailed atomic level information not amenable to experimentation.