Au13 Nanocluster Structure and Catalytic Reaction Intermediates

A 516.5 KB dataset published by Jun Zhou on 2026-05-27 describes the synthesis and catalytic properties of a novel icosahedral Au13 nanocluster. The cluster is protected by 12 thiolate ligands and stabilized by eight t-butyl ammonium groups, forming a supramolecular assembly. It includes data on its use as a heterogeneous catalyst for aniline oxidative coupling, with captured reaction intermediates confirmed by EPR and DFT.

Use Cases

• Modeling the structure of all-thiolate-protected Au13 nanoclusters based on the described supramolecular assembly.
• Studying heterogeneous catalysis mechanisms for oxidative coupling reactions based on the described aniline coupling application.
• Analyzing catalytic reaction intermediates, including superoxide radical anions, based on the EPR and DFT data mentioned.
• Comparing catalyst performance with thermally treated samples based on the described superiority of the wet-impregnated cluster.

Strengths

• Dataset includes confirmed reaction intermediates, such as the superoxide radical anion, validated by EPR analysis.
• Catalytic performance is directly compared, with the described catalyst noted as superior to those obtained by thermal ligand removal.
• The nanocluster structure is precisely defined as an icosahedral Au13 superatom with 12 peripheral thiolate ligands.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.

Provenance

Source

figshare

Collection Method

Prepared by a two-phase exchange method and wet impregnation onto carbon nanotubes.

Freshness

Last updated 2026-05-27 06:13:28; freshness should be verified.