A Near-Infrared-Emissive Alkynyl-Protected Au24 Nanocluster

• Published in: Angewandte Chemie International Edition Vol. 54; no. 33; pp. 9683 - 9686
• Main Authors: Wan, Xian-Kai, Xu, Wen Wu, Yuan, Shang-Fu, Gao, Yi, Zeng, Xiao-Cheng, Wang, Quan-Ming
• Format: Journal Article
• Language: English
• Published: Weinheim WILEY-VCH Verlag 10.08.2015; WILEY‐VCH Verlag; Wiley Subscription Services, Inc
• Edition: International ed. in English
• Subjects: alkyne ligands; cluster compounds; Crystals; DFT calculations; Diffraction; gold; photophysics; X-ray diffraction; gold; cluster compounds; photophysics; alkyne ligands; DFT calculations
• ISSN: 1433-7851; 1521-3773; 1521-3773
• DOI: 10.1002/anie.201503893

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.