title: Electrostatic repulsion as an additional selectivity factor in asymmetric proline catalysis.
abstract: The metal free, single amino acid-catalyzed asymmetric desymmetrization (ADS) of meso-compounds with nitrosobenzene has been investigated using DFT. In this communication, we describe the role of electrostatic and dipole-dipole interactions in amino acid-catalyzed reactions, which has not previously been invoked in discussions of these important reactions.
authors.affiliation: School of Chemistry, University of Hyderabad, Hyderabad, 500 046, India.
authors.forename: Jorly
authors.initials: J
authors.lastname: Joseph
authors.forename: Dhevalapally B
authors.initials: DB
authors.lastname: Ramachary
authors.forename: Eluvathingal D
authors.initials: ED
authors.lastname: Jemmis
mesh_terms: D002384:Catalysis; D003198:Computer Simulation; D015394:Molecular Structure; D011392:Proline / Q000737:chemistry*; D055672:Static Electricity
chemical_list: D011392:Proline