title: Au19 nanocluster featuring a V-shaped alkynyl-gold motif.
abstract: 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.
authors.affiliation: State Key Laboratory of Physical Chemistry of Solid Surfaces, Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University , Xiamen, Fujian 361005, P. R. China.
authors.forename: Xian-Kai
authors.initials: XK
authors.lastname: Wan
authors.forename: Qing
authors.initials: Q
authors.lastname: Tang
authors.forename: Shang-Fu
authors.initials: SF
authors.lastname: Yuan
authors.forename: De-en
authors.initials: DE
authors.lastname: Jiang
authors.forename: Quan-Ming
authors.initials: QM
authors.lastname: Wang
mesh_terms: D000480:Alkynes / Q000737:chemistry*; D000588:Amines / Q000737:chemistry; D004583:Electrons; D006046:Gold / Q000737:chemistry*; D008024:Ligands; D008958:Models, Molecular; D008968:Molecular Conformation; D049329:Nanostructures / Q000737:chemistry*; D055620:Optical Phenomena
chemical_list: D000480:Alkynes; D000588:Amines; D008024:Ligands; D006046:Gold