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Synthesis, Characterization, and Functionalization of Hybrid Au/CdS and Au/ZnS Core/Shell Nanoparticles
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A Golden Fullerene Encapsulating Schmid Gold.

Peiyao Pan1, Sami Malola2, Rui Zhao3

  • 1Department of Chemistry and Centre for Atomic Engineering of Advanced Materials, Key Laboratory of Structure and Functional Regulation of Hybrid Materials of Ministry of Education, Anhui Province Key Laboratory of Chemistry for inorganic/Organic Hybrid Functionalized Materials, Anhui University, Hefei, Anhui 230601, P. R. China.

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This summary is machine-generated.

Fluorine chemistry stabilizes a record Au75 gold nanocluster, revealing its "golden fullerene" structure. This breakthrough optimizes the Schmid gold structure and advances understanding of gold nanocluster functionality.

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Area of Science:

  • Nanotechnology and Materials Science
  • Inorganic Chemistry
  • Computational Chemistry

Background:

  • The precise atomic structure of "Schmid gold" (Au55(PPh3)12Cl6) has been challenging to determine since its 1981 synthesis.
  • Stabilizing large phosphine-protected gold nanoclusters remains a significant hurdle in materials science.

Purpose of the Study:

  • To exploit fluorine chemistry for stabilizing and elucidating the structure of large gold nanoclusters.
  • To optimize the atomically precise structure of the Schmid gold using a novel Au75 nanocluster.

Main Methods:

  • Synthesis of a novel Au75(P(C6H4-4-CF3)3)20Cl12 nanocluster utilizing fluorine chemistry.
  • Structural determination and optimization of the Au75 nanocluster, revealing a "golden fullerene" configuration.
  • Density functional theory (DFT) analysis and microsecond-scale molecular dynamics (MD) simulations.

Main Results:

  • The largest structurally resolved phosphine-ligated gold nanocluster, Au75, was stabilized using fluorine chemistry.
  • The Au75 nanocluster exhibits a unique Russian doll-like structure (Au13@Au42@Au20@Cl12@(PR)20), termed "golden fullerene encapsulating Schmid gold".
  • DFT revealed the superatomic nature of the fluorinated nanocluster, and MD confirmed fluorine's stabilizing role.

Conclusions:

  • Fluorine chemistry enables the stabilization of large phosphine-protected gold nanoclusters.
  • The study provides an optimized structure for Schmid gold and introduces the "golden fullerene" concept.
  • This advancement opens avenues for exploring the catalytic and biological applications of complex gold nanoclusters.