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.
Revised: August 31, 2015 |
Published: May 7, 2015
Citation
Sementa L., G. Barcaro, A. Dass, M. Stener, and A. Fortunelli. 2015.Designing Ligand-Enhanced Optical Absorption of Thiolated Gold Nanoclusters.Chemical Communications 51, no. 37:7935-7938. doi:10.1039/C5CC01951F