A Near-Infrared-Emissive Alkynyl-Protected Au24 Nanocluster

An alkynyl‐protected gold nanocluster [Au24(CCPh)14(PPh3)4](SbF6)2 has been prepared by a direct reduction method. Single‐crystal X‐ray diffraction reveals that the molecular structure contains a Au22 core that is made of two Au13‐centered cuboctahedra that share a square face. Two staple‐like PhC...

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Bibliographic Details
Published in:Angewandte Chemie International Edition 2015-08, Vol.54 (33), p.9683-9686
Main Authors: Wan, Xian-Kai, Xu, Wen Wu, Yuan, Shang-Fu, Gao, Yi, Zeng, Xiao-Cheng, Wang, Quan-Ming
Format: Article
Language:English
Subjects:
alkyne ligands
cluster compounds
Crystals
DFT calculations
Diffraction
gold
photophysics
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Summary:An alkynyl‐protected gold nanocluster [Au24(CCPh)14(PPh3)4](SbF6)2 has been prepared by a direct reduction method. Single‐crystal X‐ray diffraction reveals that the molecular structure contains a Au22 core that is made of two Au13‐centered cuboctahedra that share a square face. Two staple‐like PhCCAuCCPh motifs are located around the center of the rod‐like Au22 core. This Au24 nanocluster is highly emissive in the near‐infrared region with λmax=925 nm and the nature of the HOMO–LUMO transition is investigated by time‐dependent DFT calculations. Good as gold: An alkynyl‐protected gold nanocluster [Au24(CCPh)14(PPh3)4](SbF6)2 is reported which contains a Au22 core composed of two Au13 centered cuboctahedra that share a square face. Two staple‐like PhCCAuCCPh motifs are located around the center of the rod‐like Au22 core. The Au24 nanocluster is highly emissive in the near‐infrared region (λmax=925 nm). Atom colors: Au=orange; C=gray.
ISSN:1433-7851
1521-3773
DOI:10.1002/anie.201503893