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A Near‐Infrared‐Emissive Alkynyl‐Protected Au 24 Nanocluster
Author(s) -
Wan XianKai,
Xu Wen Wu,
Yuan ShangFu,
Gao Yi,
Zeng XiaoCheng,
Wang QuanMing
Publication year - 2015
Publication title -
angewandte chemie
Language(s) - English
Resource type - Journals
eISSN - 1521-3757
pISSN - 0044-8249
DOI - 10.1002/ange.201503893
Subject(s) - crystallography , infrared , chemistry , diffraction , homo/lumo , transition metal , single crystal , infrared spectroscopy , materials science , nanotechnology , molecule , catalysis , physics , optics , biochemistry , organic chemistry
An alkynyl‐protected gold nanocluster [Au 24 (CCPh) 14 (PPh 3 ) 4 ](SbF 6 ) 2 has been prepared by a direct reduction method. Single‐crystal X‐ray diffraction reveals that the molecular structure contains a Au 22 core that is made of two Au 13 ‐centered cuboctahedra that share a square face. Two staple‐like PhCCAuCCPh motifs are located around the center of the rod‐like Au 22 core. This Au 24 nanocluster is highly emissive in the near‐infrared region with λ max =925 nm and the nature of the HOMO–LUMO transition is investigated by time‐dependent DFT calculations.