COLL 544 |
| Ignacio L. Garzón1, Carlos E. Román-Velázquez2, and Cecilia Noguez1. (1) Instituto de Física, Universidad Nacional Autónoma de México, Apartado Postal 20-364, México, D.F, 01000, Mexico, (2) Centro de Investigación en Ciencia Aplicada y Tecnología Avanzada, Instituto Politécnico Nacional, México, D.F, 11500, Mexico |
| Chiral structures have been found as the most stable isomers of bare (Au28 and Au55) and thiol-passivated [Au28(SCH3)16 and Au38(SCH3)24] gold nanoclusters. The degree of chirality existing in the chiral clusters was calculated using the Hausdorff chirality measure (HCM). From the calculated values of HCM, it is obtained that the thiol-passivation is a mechanism to induce or increase the chirality of the bare metal clusters. The circular dichroism (CD) spectra of gold nanoclusters with different HCM were calculated within the discrete-dipole approximation. The CD spectra show features that allow us to distinguish between different indexes of chirality. These results provide theoretical support for the existence of chirality in these compounds, and are consistent with the observed chiroptical activity, recently reported for glutathione-passivated gold nanoclusters. |
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Chiral Surfaces
Division of Colloid and Surface Chemistry |