菱方三八面体银：采用俄罗斯套娃模型的四层八面体银纳米簇
Rhombicuboctahedral Ag : Four-Layered Octahedral Silver Nanocluster Adopting the Russian Nesting Doll Model.
作者信息
Ma Xiangyu, Bai Yuyuan, Song Yongbo, Li Qinzhen, Lv Ying, Zhang Hui, Yu Haizhu, Zhu Manzhou
机构信息
Department of Chemistry and Centre for Atomic Engineering of Advanced Materials, Anhui Province Key Laboratory of Chemistry for Inorganic/Organic Hybrid Functionalized Materials, Key Laboratory of Structure and Functional Regulation of Hybrid Materials of Ministry of Education, Anhui University, Hefei, Anhui, 230601, P. R. China.
Institute of Physical Science and Information Technology, Anhui University, Hefei, Anhui, 230601, P. R. China.
出版信息
Angew Chem Int Ed Engl. 2020 Sep 21;59(39):17234-17238. doi: 10.1002/anie.202006447. Epub 2020 Jul 28.
Precise atomic structure of metal nanoclusters (NCs) is fundamental for elucidating the structure-property relationships and the inherent size-evolution principles. Reported here is the largest known FCC-based (FCC=face centered cubic) silver nanocluster, [Ag (SC H F ) (PPh ) ] : the first all-octahedral symmetric nesting Ag nanocluster with a four-layered Ag @Ag @Ag S @Ag S P structure, consistent symmetry elements, and a unique rhombicuboctahedral morphology distinct from theoretical predictions and previously reported FCC-based Ag clusters. DFT studies revealed extensive interlayer interactions and degenerate frontier orbitals. The FCC-based Russian nesting doll model constitutes a new platform for the study of the size-evolution principles of Ag NCs.
金属纳米团簇（NCs）精确的原子结构对于阐明结构-性质关系和内在的尺寸演化原理至关重要。本文报道了已知最大的基于面心立方（FCC）的银纳米团簇[Ag(SC₆H₄F)(PPh₃)₃]：首个具有Ag₉@Ag₈@Ag₄S₄@Ag₄S₄P四层结构、一致对称元素且具有不同于理论预测和先前报道的基于FCC的银团簇的独特菱形十二面体形态的全八面体对称嵌套银纳米团簇。密度泛函理论（DFT）研究揭示了广泛的层间相互作用和简并前沿轨道。基于FCC的俄罗斯套娃模型构成了研究银纳米团簇尺寸演化原理的新平台。
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