title: A Near-Infrared-Emissive Alkynyl-Protected Au24 Nanocluster.
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.
authors.affiliation: 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).
authors.forename: Xian-Kai
authors.initials: XK
authors.lastname: Wan
authors.affiliation: Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai, 201800 (China).
authors.forename: Wen Wu
authors.initials: WW
authors.lastname: Xu
authors.affiliation: 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).
authors.forename: Shang-Fu
authors.initials: SF
authors.lastname: Yuan
authors.affiliation: Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai, 201800 (China). gaoyi@sinap.ac.cn.
authors.forename: Yi
authors.initials: Y
authors.lastname: Gao
authors.affiliation: Department of Chemistry, University of Nebraska-Lincoln, Lincoln, NE 68588 (USA).
authors.forename: Xiao-Cheng
authors.initials: XC
authors.lastname: Zeng
authors.affiliation: 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.
authors.forename: Quan-Ming
authors.initials: QM
authors.lastname: Wang
keywords: DFT calculations; alkyne ligands; cluster compounds; gold; photophysics