An Atomically Precise Au 10 Ag 2  Nanocluster with Red–Near‐IR Dual Emission | Zendy

Lei Zhen | Zendy; Guan ZongJie | Zendy; Pei XiaoLi | Zendy; Yuan ShangFu | Zendy; Wan XianKai | Zendy; Zhang JinYuan | Zendy; Wang QuanMing | Zendy

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An Atomically Precise Au 10 Ag 2 Nanocluster with Red–Near‐IR Dual Emission

Author(s) -

Lei Zhen,

Guan ZongJie,

Pei XiaoLi,

Yuan ShangFu,

Wan XianKai,

Zhang JinYuan,

Wang QuanMing

Publication year - 2016

Publication title -

chemistry – a european journal

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.687

H-Index - 242

eISSN - 1521-3765

pISSN - 0947-6539

DOI - 10.1002/chem.201602403

Subject(s) - crystallography , cluster (spacecraft) , density functional theory , single crystal , materials science , trigonal bipyramidal molecular geometry , phosphine , chemistry , crystal structure , computational chemistry , catalysis , biochemistry , computer science , programming language

A red–near‐IR dual‐emissive nanocluster with the composition [Au 10 Ag 2 (2‐py−C≡C) 3 (dppy) 6 ](BF 4 ) 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 Au 10 Ag 2 core that contains a planar Au 4 (2‐py−C≡C) 3 unit sandwiched by two Au 3 Ag(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 Au 3 Ag(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.

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