We report a simple synthesis of silver:glutathione (Ag:SG) clusters using a cyclic reduction under oxidative conditions. Two syntheses are described which lead to solutions containing well-defined Ag31(SG)19 and Ag15(SG)11 clusters that have been characterized by mass spectrometry. The optical properties of silver:glutathione (Ag:SG) cluster solutions have been investigated experimentally. In particular, the solution containing Ag15(SG)11 clusters shows a bright and photostable emission. For Ag31(SG)19 and Ag15(SG)11 clusters, the comparison of experimental findings with DFT and TDDFT calculations allowed us to reveal the structural and electronic properties of such low nuclearity liganded silver clusters.
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http://dx.doi.org/10.1039/c3nr00677h | DOI Listing |
J Phys Chem A
February 2016
Air Force Research Laboratory , Materials and Manufacturing Directorate Wright-Patterson Air Force Base, Ohio 45433, United States.
We report a density functional theory (DFT) and time-dependent DFT (TDDFT) investigation of the thiolated silver nanoclusters [Ag44(SR)30](4-), Ag14(SR)12(PR'3)8, Ag31(SG)19, Ag32(SG)19, and Ag15(SG)11, which were synthesized and for which one-photon absorption (OPA) characterization is available. Our computational investigation based on careful examination of the exchange-correlation functional used in DFT geometry optimization and for the linear optical properties predictions by TDDFT, demonstrated good agreement with the measured linear absorption spectra, however dependent on the applied functional. Following the benchmarking, we evaluated the two-photon absorption (TPA) response using TDDFT, noting that accurate prediction of OPA is important for suppositions on the spectral range for TPA enhancement because of the sensitivity to the excitation energies.
View Article and Find Full Text PDFNanoscale
June 2013
Institut Lumière Matière, UMR5306 Université Lyon 1-CNRS, Université de Lyon, 69622 Villeurbanne cedex, France.
We report a simple synthesis of silver:glutathione (Ag:SG) clusters using a cyclic reduction under oxidative conditions. Two syntheses are described which lead to solutions containing well-defined Ag31(SG)19 and Ag15(SG)11 clusters that have been characterized by mass spectrometry. The optical properties of silver:glutathione (Ag:SG) cluster solutions have been investigated experimentally.
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