Designing Ligand-Enhanced Optical Absorption of Thiolated Gold Nanoclusters
Journal Article
·
· Chemical Communications, 51(37):7935-7938
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.
- Research Organization:
- Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Environmental Molecular Sciences Lab. (EMSL)
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- AC05-76RL01830
- OSTI ID:
- 1214067
- Journal Information:
- Chemical Communications, 51(37):7935-7938, Journal Name: Chemical Communications, 51(37):7935-7938
- Country of Publication:
- United States
- Language:
- English
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