A Near-Infrared-Emissive Alkynyl-Protected Au24 Nanocluster

Xian-Kai Wan; Wen Wu Xu; Shang-Fu Yuan; Yi Gao; Xiao-Cheng Zeng; Quan-Ming Wang

doi:10.1002/anie.201503893

A Near-Infrared-Emissive Alkynyl-Protected Au24 Nanocluster

Angew Chem Int Ed Engl. 2015 Aug 10;54(33):9683-6. doi: 10.1002/anie.201503893. Epub 2015 Jun 26.

Authors

Xian-Kai Wan¹, Wen Wu Xu², Shang-Fu Yuan¹, Yi Gao³, Xiao-Cheng Zeng⁴, Quan-Ming Wang⁵

Affiliations

¹ State Key Lab of Physical Chemistry of Solid Surfaces, Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen, 361005 (P.R. China).
² Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai, 201800 (China).
³ Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai, 201800 (China). gaoyi@sinap.ac.cn.
⁴ Department of Chemistry, University of Nebraska-Lincoln, Lincoln, NE 68588 (USA).
⁵ State Key Lab of Physical Chemistry of Solid Surfaces, Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen, 361005 (P.R. China). qmwang@xmu.edu.cn.

PMID: 26119538
DOI: 10.1002/anie.201503893

Abstract

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 λ(max)=925 nm and the nature of the HOMO-LUMO transition is investigated by time-dependent DFT calculations.

Keywords: DFT calculations; alkyne ligands; cluster compounds; gold; photophysics.