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Updated: Apr 5, 2026
Synthesis of Near-Infrared Emitting Gold Nanoclusters for Biological Applications
Published on: March 22, 2020
A DFT Study of Linear Gold-Thiolate Superclusters Absorbing in the Therapeutic NIR Window
Sami Malola1, Lauri Lehtovaara2, Hannu Häkkinen1,2
1†Department of Physics, Nanoscience Center, University of Jyväskylä, FI-40014 Jyväskylä, Finland.
Abstract:
A series of linear clusters up to an aspect ratio of 1:6, formed as multimers of smaller clusters with an icosahedral Au13(5+) core having an eight-electron superatom configuration, are computationally predicted to have a greatly enhanced size-dependent absorption in the near-infrared (NIR) region extending to the biologically important NIR window. A novel structural model is presented for the previously isolated thiol-stabilized Au54(SR)30 cluster, where the metal core is formed as a heterodimer of the cores of the known Au25(SR)18(-/0) and Au38(SR)24 clusters.
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