是不是超原子？等结构Au3Ag2和Au3Cu2纳米团簇的实例研究

IF 16.9 1区化学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Angewandte Chemie International Edition Pub Date : 2025-10-20 DOI:10.1002/anie.202519135

Yun-Ke Zhao,Zi-Rui Liu,Zhen-Chao Long,Wan-Qi Shi,Quan-Ming Wang

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引用次数: 0

摘要

以三（2-吡啶基）膦（Ppy3）为原料合成了[Au3Ag2(Ppy3)6](NO3)3 （Au3Ag2）和[Au3Cu2(Ppy3)6](BF4)3 （Au3Cu2）两种双金属纳米簇。单晶x射线结构分析表明，两者均具有三角形双锥体结构，腰部有三个Au原子，上下顶点有Ag/Cu原子。Au3Ag2在溶液中表现出比Au3Cu2更好的稳定性。理论计算表明，Au3Ag2是定义明确的最小超原子，而Au3Cu2是非超原子，尽管它们是同结构的，价电子数相同。本文重点研究了原子掺杂对金属纳米团簇电子结构和超原子性质的影响。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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Superatomic or Not? A Case Study on Isostructural Au3Ag2 and Au3Cu2 Nanoclusters.

Two bimetal nanoclusters, [Au3Ag2(Ppy3)6](NO3)3 (Au3Ag2) and [Au3Cu2(Ppy3)6](BF4)3 (Au3Cu2) have been synthesized with tri(2-pyridyl)phosphine (Ppy3). Single crystal X-ray structural analysis reveals that both have trigonal bipyramidal structures with three Au atoms at the waist and Ag/Cu atoms at the top and bottom vertices. Au3Ag2 demonstrates much better stability than Au3Cu2 in solution. Theoretical calculations indicate that Au3Ag2 is the smallest well-defined superatom while Au3Cu2 is nonsuperatomic, even though they are isostructural and have the same number of valence electrons. This work highlights the influence of atom doping on the electronic structures and superatomic properties of metal nanoclusters.

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来源期刊

Angewandte Chemie International Edition 化学-化学综合

CiteScore

26.60

自引率

6.60%

发文量

3549

审稿时长

1.5 months

期刊介绍： Angewandte Chemie, a journal of the German Chemical Society (GDCh), maintains a leading position among scholarly journals in general chemistry with an impressive Impact Factor of 16.6 (2022 Journal Citation Reports, Clarivate, 2023). Published weekly in a reader-friendly format, it features new articles almost every day. Established in 1887, Angewandte Chemie is a prominent chemistry journal, offering a dynamic blend of Review-type articles, Highlights, Communications, and Research Articles on a weekly basis, making it unique in the field.