title: Enantiospecific adsorption of chiral molecules on chiral gold clusters.
abstract: Enantioselectivity in gold clusters is investigated by studying the adsorption of a chiral amino acid (cysteine) on a chiral Au55 cluster using density functional calculations. The highest adsorption energies were found when the amino and thiolate functional groups of cysteine are bonded to the lowest coordinated edges of the chiral cluster. Enantiospecific adsorption is primarily obtained from the different bond location and strength, at the cluster edge, of the carboxyl groups forming the left- and right-handed enantiomers. These results provide theoretical support to convey enantioselectivity in asymmetric nanocatalysts using chiral gold clusters.
authors.affiliation: Instituto de Física, Universidad Nacional Autónoma de México, Apartado Postal 20-364, 01000 México D.F., México.
authors.forename: Xóchitl
authors.initials: X
authors.lastname: López-Lozano
authors.forename: Luis A
authors.initials: LA
authors.lastname: Pérez
authors.forename: Ignacio L
authors.initials: IL
authors.lastname: Garzón
mesh_terms: D000327:Adsorption; D003545:Cysteine / Q000302:isolation & purification*; D006046:Gold / Q000737:chemistry*; D008956:Models, Chemical; D008958:Models, Molecular; D013237:Stereoisomerism; D013816:Thermodynamics
chemical_list: D006046:Gold; D003545:Cysteine