Au19 nanocluster featuring a V-shaped alkynyl-gold motif

J Am Chem Soc. 2015 Jan 21;137(2):652-5. doi: 10.1021/ja512133a. Epub 2015 Jan 9.


A novel Au19 nanocluster with a composition of [Au19(PhC≡C)9(Hdppa)3](SbF6)2 was synthesized (Hdppa = N,N-bis(diphenylphosphino)amine). Single crystal X-ray structural analysis reveals that the cluster comprises a centered icosahedral Au13 core hugged by three V-shaped PhC≡C-Au-C≡C(Ph)-Au-C≡CPh motifs. Such motif is observed for the first time in an alkynyl-protected gold nanocluster. The Au19 cluster shows two main optical-absorption bands at 1.25 and 2.25 eV, confirmed by time-dependent density functional theory. Orbital analysis indicates that PhC≡C- groups can actively participate in the frontier orbitals of the whole cluster. The new Au19 cluster and the novel alkynyl-gold motif open the door to understanding the alkynyl-gold interface and discovering many potential members of this new class of gold clusters.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Alkynes / chemistry*
  • Amines / chemistry
  • Electrons
  • Gold / chemistry*
  • Ligands
  • Models, Molecular
  • Molecular Conformation
  • Nanostructures / chemistry*
  • Optical Phenomena


  • Alkynes
  • Amines
  • Ligands
  • Gold