Au Nanocluster Featuring a V-Shaped Alkynyl--Gold Motif.

A novel Au nanocluster with a composition of [Au(PhC≡C)(Hdppa)](SbF) was synthesized (Hdppa = N,N-bis(diphenylphosphino)amine). Single crystal X-ray structural analysis reveals that the cluster comprises a centered icosahedral Au core hugged by three V-shaped PhC≡C--Au--C≡C(Ph)--Au--C≡CPh motifs. Su...

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Detalles Bibliográficos
Publicado en:	Journal of the American Chemical Society Vol. 137; no. 2; pp. 652 - 656
Autores principales:	Xian-Kai Wan, Qing Tang, Shang-Fu Yuan, De-en Jiang, Quan-Ming Wang
Formato:	Artículo
Publicado:	American Chemical Society 1/21/2015
Materias:	Gold clusters Single crystals Amines Density functional theory Nanotechnology
Acceso en línea:	Ver este registro en EBSCOhost

Descripción
Sumario:	A novel Au nanocluster with a composition of [Au(PhC≡C)(Hdppa)](SbF) was synthesized (Hdppa = N,N-bis(diphenylphosphino)amine). Single crystal X-ray structural analysis reveals that the cluster comprises a centered icosahedral Au 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 Au 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.