Yuan Xiting, Ye Zichen, Malola Sami, Shekhah Osama, Jiang Hao, Hu Xinyan, Wang Jian-Xin, Wang Hong, Shkurenko Aleksander, Jia Jiangtao, Guillerm Vincent, Mohammed Omar F, Chen Xiaolan, Zheng Nanfeng, Häkkinen Hannu, Eddaoudi Mohamed
Functional Materials Design, Discovery, and Development Research Group (FMD3), Advanced Membranes and Porous Materials Center (AMPM), Division of Physical Sciences and Engineering (PSE), King Abdullah University of Science and Technology (KAUST) Thuwal 23955-6900 Saudi Arabia
State Key Laboratory for Physical Chemistry of Solid Surfaces, Collaborative Innovation Center of Chemistry for Energy Materials and Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University Xiamen 361005 China.
Chem Sci. 2024 Sep 13;15(39):16112-7. doi: 10.1039/d4sc04594g.
Here we report the synthesis and crystallization of a -COOH-capped -heterocyclic carbene (NHC)-protected Au cluster. The single-crystal structure of the -COOH-capped NHC-Au cluster reveals a classic icosahedral core with one Au atom in its center. The icosahedral core is surrounded by five NHC ligands with pseudo C5 symmetry and exposed carboxyls in a pentagonal antiprism fashion. The detailed formula of the Au cluster was identified as Au(bi-NHC carboxyl)Cl (hereafter abbreviated as Au-c). The density functional theory (DFT) calculations confirm that Au-c is an electronically stable eight-electron super-atom cluster and elucidate its optical transitions in the UV-Vis range. The Au-c cluster exhibits excellent thermal and chemical stability under bio-relevant conditions. Additionally, this cluster shows a strong red emission in DMF and HO with an excellent quantum yield (QY) of 40% and 12.6%, respectively. The high QY of Au-c enables its use in cell imaging on both cancer and noncancerous cells.
在此,我们报道了一种羧基封端的杂环卡宾(NHC)保护的金簇的合成与结晶。羧基封端的NHC-金簇的单晶结构揭示了一个经典的二十面体核心,其中心有一个金原子。二十面体核心被五个具有伪C5对称性的NHC配体包围,并以五角反棱柱的方式暴露羧基。金簇的详细化学式被确定为Au(bi-NHC羧基)Cl(以下简称为Au-c)。密度泛函理论(DFT)计算证实Au-c是一种电子稳定的八电子超原子簇,并阐明了其在紫外-可见范围内的光学跃迁。Au-c簇在生物相关条件下表现出优异的热稳定性和化学稳定性。此外,该簇在DMF和水中分别表现出强烈的红色发射,量子产率(QY)分别高达40%和12.6%。Au-c的高量子产率使其能够用于癌症和非癌细胞的细胞成像。
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