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Rhombicuboctahedral Ag100 : Four-Layered Octahedral Silver Nanocluster Adopting the Russian Nesting Doll Model
Xiangyu Ma1, Yuyuan Bai1, Yongbo Song1
1Department 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.
Abstract:
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, [Ag100 (SC6 H3 3,4 F2 )48 (PPh3 )8 ]- : the first all-octahedral symmetric nesting Ag nanocluster with a four-layered Ag6 @Ag38 @Ag48 S24 @Ag8 S24 P8 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.
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