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.
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)32 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.
一种新型的 Au19 纳米团簇，其组成为 Au19(PhC≡C)9(Hdppa)32，其中 Hdppa = N,N-双（二苯基膦基）胺。单晶 X 射线结构分析表明，该簇由一个中心的二十面体 Au13 核组成，被三个 V 形 PhC≡C-Au-C≡C(Ph)-Au-C≡CPh 基序包围。这种基序是在炔基保护的金纳米团簇中首次观察到的。Au19 团簇在 1.25 和 2.25 eV 处显示出两个主要的光吸收带，这一点通过时间依赖的密度泛函理论得到了证实。轨道分析表明，PhC≡C- 基团可以积极参与整个团簇的前沿轨道。这个新的 Au19 团簇和新的炔基金基序为理解炔基金界面和发现这一新类金团簇的许多潜在成员打开了大门。
