Crystal structure of bulky-ligand-protected Au₂₄(S-C₄H₉)₁₆

Area of Science:

• Nanomaterials Science
• Surface Chemistry
• Crystallography

Background:

• Atomically precise gold nanomolecules exhibit unique electronic and chemical properties.
• Understanding the exact structure of these nanomolecules is key to elucidating their behavior.

Purpose of the Study:

• To determine the X-ray crystal structure of a specific thiolate-protected gold nanomolecule.
• To characterize the atomic arrangement and ligand shell of the Au24(S-C4H9)16 cluster.

Main Methods:

• One-phase synthesis of the gold nanomolecule.
• Crystallization from a hexane-ethanol layered solution.
• X-ray crystallography and electrospray ionization mass spectrometry (ESI-MS) for structural confirmation.

Main Results:

• The X-ray crystal structure of Au24(S-C4H9)16 was successfully determined.
• The structure features a 16-atom gold core stabilized by 16 tert-butylthiolate ligands.
• Ligand arrangement includes two monomeric and two trimeric staples with four bridging ligands.
• The cluster adheres to the shell-closing magic number of 8.

Conclusions:

• The precise atomic structure of Au24(S-C4H9)16 has been elucidated.
• The findings provide a structural basis for the unique properties of this gold nanomolecule.
• The study confirms the cluster's adherence to electronic shell-closing principles.