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Chirality Transfer in Gold Nanoclusters: Insights from Chiral Spectroscopy and Theoretical Modeling
Rareş Banu1, Chiara Morassut2, Ariel Perez Mellor3
1Institute of Materials Chemistry, TU Wien, Getreidemarkt 9/E165, 1060 Vienna, Austria.
ACS Physical Chemistry Au
|June 1, 2026
Summary
Chirality in gold nanoclusters is transferred from the core to ligands, influencing their shape. This study reveals how structural complexity amplifies chiral signals in these nanomaterials.
Area of Science:
- Nanotechnology
- Materials Science
- Spectroscopy
Background:
- Chirality in gold nanoclusters arises from complex interactions between the metal core, interface, and ligands.
- Understanding how these hierarchical elements affect ligand conformation is crucial for designing chiral nanomaterials.
Purpose of the Study:
- To investigate the transfer of chirality from the nanocluster framework to the ligand shell.
- To elucidate the relationship between structural chirality and ligand conformation in gold nanoclusters.
Main Methods:
- Utilized vibrational circular dichroism (VCD) spectroscopy.
- Employed density functional theory (DFT) and SCC-DFTB calculations.
- Studied three enantiopure thiolate-protected gold nanoclusters: Au25, Au38, and Au144.
Main Results:
- VCD analysis showed progressive restriction and reorganization of ligand conformations with increasing structural chirality.
- Au38 and Au144 nanoclusters exhibited significant spectral changes compared to the achiral Au25.
- Computational analysis confirmed that cluster geometry governs ligand conformations.
Conclusions:
- Chirality transfer mechanisms in gold nanoclusters were directly elucidated.
- Ligand conformation is dictated by the nanocluster's geometry.
- Findings enhance the understanding for designing advanced chiral nanomaterials.
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