Authors: I.L. Garzon, X. Lopez-Lozano and L.A. Perez
Affilation: Universidad Nacional Autonoma de Mexico, Mexico
Pages: 381 - 384
Keywords: gold nanoparticles, chiral clusters, asymmetric nanocatalysts
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 di¤erent 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 conveyenantioselectivity in asymmetric nanocatalysts using chiral gold clusters.