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
Designing ligand-enhanced optical absorption of thiolated gold nanoclusters / Sementa, L.; Barcaro, G.; Dass, A.; Stener, Mauro; Fortunelli, A.. - In: CHEMICAL COMMUNICATIONS. - ISSN 1359-7345. - STAMPA. - 51:37(2015), pp. 7935-7938. [10.1039/c5cc01951f]
Designing ligand-enhanced optical absorption of thiolated gold nanoclusters
STENER, MAURO;
2015-01-01
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| File | Dimensione | Formato | |
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