A Unique Pair: Ag40 and Ag46 Nanoclusters with the Same Surface but Different Cores for Structure-Property Correlation
A Unique Pair: Ag40 and Ag46 Nanoclusters with the Same Surface but Different Cores for Structure-Property Correlation
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独特的一对：具有相同表面但不同核心的 Ag-40 和 Ag-46 纳米团簇，用于结构-性能关联
DOI：
10.1021/jacs.8b09162
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发表时间：
2018-11-21
影响因子：
15
通讯作者：
Zhu, Manzhou
中科院分区：
文献类型：
--
作者：
Chai, Jinsong;Yang, Sha;Zhu, Manzhou
理解纳米团簇的光学性质是基础研究的中心任务之一。在这项工作中，获得了两种具有明显不同核但具有共同保护壳的新Ag纳米团簇，包括[Ag-40（2，4-DMBT）（24）（PPh 3）（8）]和[Ag-46（2，5-DMBT）（24）（PPh 3）（8）]（2+）。值得注意的是，Ago纳米团簇包括Ag-40的简单立方核，Ag-40是首次在金属材料领域实验观察到的。使用Ag-40和Ago纳米团簇作为一个独特的对，我们已经研究了这些纳米团簇的光吸收性能的核心结构的影响。Ag-46的致密核壳层使前线轨道高度简并，而Ag-40的松散核壳层使前线轨道简并程度要小得多。总体而言，这项工作表明，核心包装模式起着重要的作用，在确定金属纳米团簇的光学性质。具有可控晶相的新材料在其他应用中也有希望。
Understanding the optical properties of nanoclusters is one of the central tasks in fundamental research. In this work, two new Ag nanoclusters that have distinctly different cores but a common protecting shell are achieved, including [Ag-40(2,4-DMBT)(24)(PPh3)(8)] and [Ag-46(2,5-DMBT)(24)(PPh3)(8)](2+). Significantly, the Ago nanocluster comprises a simple cubic core of Ag-40,Ag- which is observed experimentally in the field of metal materials for the first time. Using the Ag-40 and Ago nanoclusters as a unique pair, we have investigated the effect of core structure on the optical absorption properties of these nanoclusters. The compact core-shell in Ag-46 makes the frontier orbitals highly degenerate, whereas the loose core-shell of Ag-40 leads to much less degeneracy in the frontier orbits. Overall, this work reveals that the core packing mode plays a significant role in determining the optical properties of metal nanoclusters. The new materials with controlled crystalline phases also hold promise in other applications.