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Chirality in gold clusters and chirality index calculation.
Chiral structures have been found as the lowest-energy isomers of bare (Au28 and Au55) and thiol-passivated [Au28(SHC3)16 and Au38(SHC3)24] gold clusters. The degree of chirality existing in the chiral clusters was calculated using the Hausdorff chirality measure. We found that the index of chirality is higher in the passivated clusters and decreases with the cluster size. These are consistent with the observed chiroptical activity recently reported for glutahione-passivated gold nanoclusters, and provide theoretical support for the existence of chirality in these compounds.
"Density Functional Study of the Cysteine Adsorption on Au Nanoclusters"
L. A. Pérez, X. López-Lozano, and I. L. Garzón
European Physical Journal D, 52, 123 (2009).
"Enantiospecific Adsorption of Chiral Molecules on Chiral Au Clusters"
X. López-Lozano, L. A. Pérez, and I. L. Garzón
Phys. Rev. Lett. 97, 233401 (2006).
"Circular dichroism simulated spectra of chiral gold nanoclusters: A dipole approximation"
C.E. Roman-Velazquez, C. Noguez, and I.L.Garzón
I.L.J. Chem. Phys. B 107, 12035 (2003).
Chiral Bare and Thiol-Passivated Gold Clusters
Circular dichroism spectra of Au38 clusters (a) Before, with Oh symmetry, (..) and after, with C1 symmetry, (-) passivation with 24 methylthiol molecules. (b) Lowest-energy isomer with Cs symmetry (-) and the same cluster geometry but taking out 10 atoms that are placed on the plane of symmetry(...).
Copyright © 2009 Ignacio L. Garzón All Rights Reserved.
Last Update: February 9, 2009 | Arzate Mary Carmen | Contact