Designing ligand-enhanced optical absorption of thiolated gold nanoclusters

Sementa, L.; Barcaro, G.; Dass, A.; STENER, MAURO; Fortunelli, A.

doi:10.1039/c5cc01951f

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:	Sementa, L. Barcaro, G. Dass, A. STENER, MAURO Fortunelli, A. mostra contributor esterni nascondi 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):	10.1039/c5cc01951f
Appare nelle tipologie:	1.1 Articolo in Rivista

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http://hdl.handle.net/11368/2842671

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