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Title: Designing Ligand-Enhanced Optical Absorption of Thiolated Gold Nanoclusters

Journal Article · · Chemical Communications, 51(37):7935-7938
DOI:https://doi.org/10.1039/C5CC01951F· OSTI ID:1214067

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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