Designing ligand-enhanced optical absorption of thiolated gold nanoclusters

The optical spectra of thiolated Au25(SR)18/Au23(SR)16 clusters with different R residues are investigated via TDDFT simulations. Significant enhancements in the optical region and effective electron delocalization are simultaneously achieved by tuning the ligands’ steric hindrance and electronic conjugating features, producing a resonance phenomenon between the Au–S core motif and the ligand fragments



Titolo: Designing ligand-enhanced optical absorption of thiolated gold nanoclusters
Autori: 
STENER, MAURO
mostra contributor esterni 
Data di pubblicazione: 2015
Rivista: 
CHEMICAL COMMUNICATIONS  
Abstract: The optical spectra of thiolated Au25(SR)18/Au23(SR)16 clusters with different R residues are investigated via TDDFT simulations. Significant enhancements in the optical region and effective electron delocalization are simultaneously achieved by tuning the ligands’ steric hindrance and electronic conjugating features, producing a resonance phenomenon between the Au–S core motif and the ligand fragments
Handle: http://hdl.handle.net/11368/2842671
Digital Object Identifier (DOI): http://dx.doi.org/10.1039/c5cc01951f
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