Au₃₆(SePh)₂₄ nanomolecules: synthesis, optical spectroscopy and theoretical analysis

Area of Science:

• Nanomaterials Science
• Surface Chemistry
• Computational Chemistry

Background:

• Gold nanomolecules offer unique electronic and optical properties.
• Ligand choice significantly influences nanomolecule stability and characteristics.
• Understanding ligand-metal interactions is crucial for property tuning.

Purpose of the Study:

• To synthesize selenophenol-protected gold nanomolecules (Au36(SePh)24).
• To investigate the impact of gold-selenium (Au-Se) bridging on nanomolecule properties.
• To elucidate the origins of enhanced optical absorption through theoretical analysis.

Main Methods:

• Ligand-exchange reaction using selenophenol on pre-existing gold nanomolecules.
• Characterization via mass spectrometry (MALDI, ESI) and optical spectroscopy.
• Isolation using size exclusion chromatography (SEC) and theoretical modeling (ICM-OS).

Main Results:

• Successful synthesis of Au36(SePh)24 nanomolecules confirmed by mass spectrometry.
• Enhanced optical absorption intensity observed in Au36(SePh)24 compared to Au36(SPh)24.
• Theoretical analysis attributes absorption enhancement to reduced interference and increased coupling.

Conclusions:

• Selenophenol protection leads to distinct properties in gold nanomolecules.
• The Au-Se bridge plays a critical role in modifying electronic and optical behavior.
• This work provides insights into structure-property relationships in functionalized gold nanomolecules.