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Isomerism in Au28(SR)20 Nanocluster and Stable Structures
Yuxiang Chen1, Chong Liu2, Qing Tang3
1Department of Chemistry, Carnegie Mellon University , Pittsburgh, Pennsylvania 15213, United States.
Journal of the American Chemical Society
|January 29, 2016
Summary
Researchers discovered ligand-induced, thermally reversible isomerization in gold nanoclusters. This finding advances understanding of nanoscale isomerism and nanoparticle stability, crucial for materials science.
Area of Science:
- Nanomaterials Science
- Computational Chemistry
- Surface Chemistry
Background:
- Isomerism in nanoparticles is difficult to study due to the need for precise composition and structural data.
- Thiolate-protected gold nanoclusters offer a platform for investigating nanoscale phenomena.
Purpose of the Study:
- To investigate ligand-induced, thermally reversible isomerization in 28-gold-atom nanoclusters.
- To understand how different ligands influence the stability of gold nanocluster structures.
Main Methods:
- Synthesis of thiolate-protected 28-gold-atom nanoclusters with varying ligands.
- Characterization of nanocluster structures and isomerization.
- Dispersion-corrected density functional theory (DFT) calculations to model stability.
Main Results:
- Demonstrated thermally reversible isomerization between Au28(S-c-C6H11)20 and Au28(SPh-(t)Bu)20 nanoclusters.
- Identified specific ligands that dictate the stability of the Au28(SR)20 isomers.
- Computational analysis provided insights into the electronic and structural factors governing isomer stability.
Conclusions:
- Ligand choice is critical for controlling isomerism and stability in gold nanoclusters.
- This work provides a foundation for designing functional nanomaterials with tunable properties.
- The findings contribute to a deeper understanding of structure-property relationships at the nanoscale.
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