Physics – Atomic and Molecular Clusters
Scientific paper
2002-03-26
Phys. Rev. B 66, 073403 (2002)
Physics
Atomic and Molecular Clusters
5 pages, 1 figure. Submitted to PRL
Scientific paper
10.1103/PhysRevB.66.073403
Chiral structures have been found as the lowest-energy isomers of bare (Au$_{28}$ and Au$_{55}) and thiol-passivated (Au$_{28}(SCH$_{3})$_{16}$ and Au$_{38}(SCH_{3})_{24}) gold nanoclusters. 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 results 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 novel compounds.
Beltran Marcela R.
garzon Ignacio L.
Michaelian Karo
Reyes-Nava Juan Andrés
Rodriguea-Hernandez J. I.
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