Designing ligand-enhanced optical absorption of thiolated gold nanoclusters

作者：Sementa L; Barcaro G; Dass A; Stener M^*; Fortunelli A

来源：Chemical Communications, 2015, 51(37): 7935-7938.

DOI：10.1039/c5cc01951f

The optical spectra of thiolated Au-25(SR)(18)/Au-23(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.

• 出版日期2015