{"title":"The Influence of Flexibility of Alkynyl Ligands on the Formation of an Fcc Au110 Nanocluster","authors":"Feng Hu, Gaoyuan Yang, Zhen-Chao Long, Wan-Qi Shi, Gui-Jie Liang, Jia-Qi Wang, Quan-Ming Wang","doi":"10.1002/smll.202502106","DOIUrl":null,"url":null,"abstract":"Isomerization of nanoclusters is helpful for understanding the relationships between structures and properties. Surface-protecting ligands play a crucial role in controlling the atomic packing mode of the inner core. The synthesis and total structural determination of the all alkynyl-protected gold nanocluster (NEt<sub>3</sub>CH<sub>2</sub>Cl)<sub>2</sub>[Au<sub>110</sub>(C≡CC<sub>3</sub>H<sub>6</sub>Ph)<sub>48</sub>] (<b>Au<sub>110</sub>-1</b>) are reported. <b>Au<sub>110</sub>-1</b> and the previously reported [Au<sub>110</sub>(C≡CC<sub>6</sub>H<sub>4</sub>-4-CF<sub>3</sub>)]<sup>2−</sup> (<b>Au<sub>110</sub>-2</b>) constitute the largest alkynyl-protected nanocluster quasi-isomers (> 100 metal atoms). Both <b>Au<sub>110</sub></b> consist of an fcc Au<sub>86</sub> kernel and a shell of 24 RC≡C─Au─C≡CR staples, but the specific arrangements are different. The application of the flexible alkynyl ligands creates a significant difference in the face-centered cubic (fcc) kernel structure in <b>Au<sub>110</sub>-1</b>, showing a different electronic structure, thermal- and photo-stability. Transient absorption spectra reveal that <b>Au<sub>110</sub>-1</b> still does not show any metallic characteristics, even though it has a smaller energy gap (<i>E</i>g) than <b>Au<sub>110</sub>-2</b>.","PeriodicalId":228,"journal":{"name":"Small","volume":"58 1","pages":""},"PeriodicalIF":13.0000,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Small","FirstCategoryId":"88","ListUrlMain":"https://doi.org/10.1002/smll.202502106","RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
Isomerization of nanoclusters is helpful for understanding the relationships between structures and properties. Surface-protecting ligands play a crucial role in controlling the atomic packing mode of the inner core. The synthesis and total structural determination of the all alkynyl-protected gold nanocluster (NEt3CH2Cl)2[Au110(C≡CC3H6Ph)48] (Au110-1) are reported. Au110-1 and the previously reported [Au110(C≡CC6H4-4-CF3)]2− (Au110-2) constitute the largest alkynyl-protected nanocluster quasi-isomers (> 100 metal atoms). Both Au110 consist of an fcc Au86 kernel and a shell of 24 RC≡C─Au─C≡CR staples, but the specific arrangements are different. The application of the flexible alkynyl ligands creates a significant difference in the face-centered cubic (fcc) kernel structure in Au110-1, showing a different electronic structure, thermal- and photo-stability. Transient absorption spectra reveal that Au110-1 still does not show any metallic characteristics, even though it has a smaller energy gap (Eg) than Au110-2.
期刊介绍:
Small serves as an exceptional platform for both experimental and theoretical studies in fundamental and applied interdisciplinary research at the nano- and microscale. The journal offers a compelling mix of peer-reviewed Research Articles, Reviews, Perspectives, and Comments.
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