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

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.

Authors:
; ; ; ;
Publication Date:
Research Org.:
Pacific Northwest National Laboratory (PNNL), Richland, WA (US), Environmental Molecular Sciences Laboratory (EMSL)
Sponsoring Org.:
USDOE
OSTI Identifier:
1214067
DOE Contract Number:  
AC05-76RL01830
Resource Type:
Journal Article
Journal Name:
Chemical Communications, 51(37):7935-7938
Additional Journal Information:
Journal Name: Chemical Communications, 51(37):7935-7938
Country of Publication:
United States
Language:
English
Subject:
Environmental Molecular Sciences Laboratory

Citation Formats

Sementa, Luca, Barcaro, Giovanni, Dass, Amala, Stener, Mauro, and Fortunelli, Alessandro. Designing Ligand-Enhanced Optical Absorption of Thiolated Gold Nanoclusters. United States: N. p., 2015. Web. doi:10.1039/C5CC01951F.
Sementa, Luca, Barcaro, Giovanni, Dass, Amala, Stener, Mauro, & Fortunelli, Alessandro. Designing Ligand-Enhanced Optical Absorption of Thiolated Gold Nanoclusters. United States. doi:10.1039/C5CC01951F.
Sementa, Luca, Barcaro, Giovanni, Dass, Amala, Stener, Mauro, and Fortunelli, Alessandro. Thu . "Designing Ligand-Enhanced Optical Absorption of Thiolated Gold Nanoclusters". United States. doi:10.1039/C5CC01951F.
@article{osti_1214067,
title = {Designing Ligand-Enhanced Optical Absorption of Thiolated Gold Nanoclusters},
author = {Sementa, Luca and Barcaro, Giovanni and Dass, Amala and Stener, Mauro and Fortunelli, Alessandro},
abstractNote = {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.},
doi = {10.1039/C5CC01951F},
journal = {Chemical Communications, 51(37):7935-7938},
number = ,
volume = ,
place = {United States},
year = {2015},
month = {5}
}