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: | |
Data di pubblicazione: | 2015 |
Rivista: | |
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 |
Appare nelle tipologie: | 1.1 Articolo in Rivista |
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