Ligand-protected gold nanoclusters have exciting luminescence properties due to their small size and nonzero HOMO-LUMO gap, which enables applications in bioimaging.  These nanoclusters are also of interest in enantioselective catalysis due to the chiral nature of most of these systems.  In this work, we examine both thiolate- and phosphine-stabilized nanoclusters using density functional theory (DFT) methods and investigate how the surface structure of the ligands affects the chirality, chiroptical properties, and luminescence properties of these systems.

Effects of surface structure on the chirality and luminescence of thiolate- and phosphine-stabilized gold nanoclusters

2019 Fall National Meeting

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