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Updated: Oct 21, 2025

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从Au (I) -SR复合体到过渡大小纳米集群的核化过程

Qinzhen Li^1,2, Baoyu Huang³, Sha Yang¹

¹Department of Chemistry and Centre for Atomic Engineering of Advanced Materials, Anhui Province Key Laboratory of Chemistry for Inorganic/Organic Hybrid Functionalized Materials and Institutes of Physical Science and Information Technology, Key Laboratory of Structure and Functional Regulation of Hybrid Materials of Ministry of Education, Anhui University, Hefei, Anhui 230601, China.

Journal of the American Chemical Society

|September 9, 2021

概括

研究人员精确地合成了黄金纳米集群,揭示了它们从有机金属复合体的结构演变. 这项研究绘制了原子对原子的转换图,提供了对黄金纳米集群核和电子性质的洞察.

科学领域:

材料科学
纳米技术
计算化学

背景情况:

原子精确的贵金属纳米集群作为理解凝聚物质起源的基准.
从有机金属复合体向纳米集群的过渡对于理解纳米集群的结构演变和核形成至关重要.

研究的目的:

使用受控二氨酸介导的上下方法制备过渡大小的金纳米集群.
从有机金属复合体到黄金纳米集群的原子对原子结构演变.
在这个过渡过程中调查电子结构的变化.

主要方法:

三个新的金纳米集群的合成:Au₁₃(SAdm)₈(L⁴)₂(BPh₄),Au₁₄(S-c-C₆H₁₁)₁₀L⁴,和Au₁₆(S-c-C₆H₁₁)₁₁L.
在初始纳米集群的表面和内核上进行控制的剪切.
用密度函数理论 (DFT) 计算分析结构和电子特性.

主要成果:

该研究绘制了从Au₁₂(SR) ₁₂到Au₁₈(SR) ₁₄的原子对原子的结构演变.
在从有机金属复合体过渡到纳米集群时,观察到HOMO- LUMO差距的显著减少.
从Au₁₂(SR)₁₂到Au₁₃纳米团中的第一个Au-Au键的形成被捕获.

结论:

这项工作为金纳米集群 (Au NC) 内核的起源提供了深入的见解.
它阐明了金属复合体和纳米集群之间的结构转变关系.
这些发现有助于了解纳米集群形成的基本机制.

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