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The Influence of Flexibility of Alkynyl Ligands on the Formation of an Fcc Au 110 Nanocluster
Author(s) -
Hu Feng,
Yang Gaoyuan,
Long ZhenChao,
Shi WanQi,
Liang GuiJie,
Wang JiaQi,
Wang QuanMing
Publication year - 2025
Publication title -
small
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 3.785
H-Index - 236
eISSN - 1613-6829
pISSN - 1613-6810
DOI - 10.1002/smll.202502106
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 3 CH 2 Cl) 2 [Au 110 (C≡CC 3 H 6 Ph) 48 ] ( Au 110 ‐1 ) are reported. Au 110 ‐1 and the previously reported [Au 110 (C≡CC 6 H 4 ‐4‐CF 3 )] 2− ( Au 110 ‐2 ) constitute the largest alkynyl‐protected nanocluster quasi‐isomers (> 100 metal atoms). Both Au 110 consist of an fcc Au 86 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 Au 110 ‐1 , showing a different electronic structure, thermal‐ and photo‐stability. Transient absorption spectra reveal that Au 110 ‐1 still does not show any metallic characteristics, even though it has a smaller energy gap ( E g) than Au 110 ‐2 .

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