一种具有不规则 Ag 核的双金属 AgCu(S--CH)(CHCOO)纳米簇。

A bimetallic AgCu(S--CH)(CHCOO) nanocluster featuring an irregular Ag kernel.

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, Anhui University, Hefei 230601, P. R. China.

Key Laboratory of Structure and Functional Regulation of Hybrid Materials of Ministry of Education, Anhui University, Hefei 230601, P. R. China.

出版信息

Dalton Trans. 2023 Jan 24;52(4):971-976. doi: 10.1039/d2dt03423a.

DOI:10.1039/d2dt03423a

PMID:36598410

Abstract

Here, we report the synthesis and atomic structure of a AgCu(SR)(CHCOO)·(CH) nanocluster (AgCu for short, SR denotes cyclohexanethiol), confirmed by single-crystal X-ray diffraction (SC-XRD), electrospray ionization mass spectrometry (ESI-MS), X-ray photoelectron spectroscopy (XPS) and thermogravimetric analysis (TGA). X-ray crystallographic analysis revealed that AgCu consisted of an irregular Ag core, stabilized by the AgCu(SR)(CHCOO) shell. The shell consisted of two nearly planar Cu(SR) moieties, three monomeric [-SR-Ag-SR-] units and three Cu(CHCOO) staples. Furthermore, time-dependent density functional theory (TD-DFT) simulation was performed to interpret the optical absorption features of AgCu. Overall, this work will broaden and deepen the understanding of Ag-Cu alloy nanoclusters.

摘要

在这里，我们报告了 AgCu(SR)(CHCOO)·(CH)纳米团簇（简称 AgCu，SR 表示环己硫醇）的合成和原子结构，通过单晶 X 射线衍射（SC-XRD）、电喷雾电离质谱（ESI-MS）、X 射线光电子能谱（XPS）和热重分析（TGA）得到了证实。X 射线晶体学分析表明，AgCu 由不规则的 Ag 核组成，由 AgCu(SR)(CHCOO)壳稳定。壳层由两个几乎平面的 Cu(SR)部分、三个单体[-SR-Ag-SR-]单元和三个 Cu(CHCOO)链构成。此外，还进行了时间依赖密度泛函理论（TD-DFT）模拟，以解释 AgCu 的光吸收特征。总的来说，这项工作将拓宽和深化对 Ag-Cu 合金纳米团簇的理解。