Journal of the American Chemical Society, Vol.137, No.2, 652-655, 2015
Au-19 Nanocluster Featuring a V-Shaped Alkynyl-Gold Motif
A novel Au-19 nanocluster with a composition of [Au-19(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 Au-13 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-19 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 Au-19 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.