101. An Atomically Precise Au10Ag2 Nanocluster with Red-Near-IR Dual Emission.
- Author
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Lei, ZhEN, Guan, Zong ‐ Jie, Pei, Xiao ‐ Li, Yuan, Shang ‐ Fu, Wan, Xian ‐ Kai, Zhang, Jin ‐ Yuan, and Wang, Quan ‐ Ming
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OPTICAL properties of nanocrystals , *NANOPARTICLES , *PHOSPHINE , *LIGANDS (Chemistry) , *MOLECULAR emission cavity analysis - Abstract
A red-near-IR dual-emissive nanocluster with the composition [Au10Ag2(2-py−C≡C)3(dppy)6](BF4)5 ( 1; 2-py−C≡C is 2-pyridylethynyl, dppy=2-pyridyldiphenylphosphine) has been synthesized. Single-crystal X-ray structural analysis reveals that 1 has a trigonal bipyramidal Au10Ag2 core that contains a planar Au4(2-py−C≡C)3 unit sandwiched by two Au3Ag(dppy)3 motifs. Cluster 1 shows intense red-NIR dual emission in solution. The visible emission originates from metal-to-ligand charge transfer (MLCT) from silver atoms to phosphine ligands in the Au3Ag(dppy)3 motifs, and the intense NIR emission is associated with the participation of 2-pyridylethynyl in the frontier orbitals of the cluster, which is confirmed by a time-dependent density functional theory (TD-DFT) calculation. [ABSTRACT FROM AUTHOR]
- Published
- 2016
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