Au19 Nanocluster Featuring a V-Shaped Alkynyl–Gold Motif | Zendy

XianKai Wan | Zendy; Qing Tang | Zendy; ShangFu Yuan | Zendy; Deen Jiang | Zendy; QuanMing Wang | Zendy

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Au₁₉ Nanocluster Featuring a V-Shaped Alkynyl–Gold Motif

Author(s) -

XianKai Wan,

Qing Tang,

ShangFu Yuan,

Deen Jiang,

QuanMing Wang

Publication year - 2014

Publication title -

journal of the american chemical society

Language(s) - Uncategorized

Resource type - Journals

SCImago Journal Rank - 7.115

H-Index - 612

eISSN - 1520-5126

pISSN - 0002-7863

DOI - 10.1021/ja512133a

Subject(s) - chemistry , icosahedral symmetry , cluster (spacecraft) , nanoclusters , crystallography , gold cluster , motif (music) , structural motif , atomic orbital , stereochemistry , nanotechnology , density functional theory , computational chemistry , organic chemistry , physics , biochemistry , materials science , quantum mechanics , computer science , acoustics , programming language , electron

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.

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