A1 Journal article (refereed)
Structural Isomerism in Bimetallic Ag20Cu12 Nanoclusters (2024)


Deng, G., Malola, S., Ki, T., Liu, X., Yoo, S., Lee, K., Bootharaju, M. S., Häkkinen, H., & Hyeon, T. (2024). Structural Isomerism in Bimetallic Ag20Cu12 Nanoclusters. Journal of the American Chemical Society, Early online. https://doi.org/10.1021/jacs.4c06832


JYU authors or editors


Publication details

All authors or editorsDeng, Guocheng; Malola, Sami; Ki, Taeyoung; Liu, Xiaolin; Yoo, Seungwoo; Lee, Kangjae; Bootharaju, Megalamane S.; Häkkinen, Hannu; Hyeon, Taeghwan

Journal or seriesJournal of the American Chemical Society

ISSN0002-7863

eISSN1520-5126

Publication year2024

Publication date18/09/2024

VolumeEarly online

PublisherAmerican Chemical Society (ACS)

Publication countryUnited States

Publication languageEnglish

DOIhttps://doi.org/10.1021/jacs.4c06832

Publication open accessNot open

Publication channel open access

Publication is parallel published (JYX)https://jyx.jyu.fi/handle/123456789/97125


Abstract

Structural isomers of atomically precise metal nanoclusters are highly sought after for investigating structure–property relationships in nanostructured materials. However, they are extremely rare, particularly those of alloys, primarily due to the challenges in their synthesis and structural characterization. Herein, for the first time, a pair of bimetallic isomeric AgCu nanoclusters has been controllably synthesized and structurally characterized. These two isomers share an identical molecular formula, Ag20Cu12(C≡CR)24 (denoted as Ag20Cu12-1 and Ag20Cu12-2; HC≡CR is 3,5-bis(trifluoromethyl)phenylacetylene). Single-crystal X-ray diffraction data analysis revealed that Ag20Cu12-1 possesses an Ag17Cu4 core composed of two interpenetrating hollow Ag11Cu2 structures. This core is stabilized by four different types of surface motifs: eight –C≡CR, one Cu(C≡CR)2, one Ag3Cu3(C≡CR)6, and two Cu2(C≡CR)4 units. Ag20Cu12-2 features a bitetrahedron Ag14 core, which is stabilized by three Ag2Cu4(C≡CR)8 units. Interestingly, Ag20Cu12-2 undergoes spontaneous transformation to Ag20Cu12-1 in the solution-state. Density functional theory calculations explain the electronic and optical properties and confirm the higher relative stability of Ag20Cu12-1 compared to Ag20Cu12-2. The controlled synthesis and structural isomerism of alloy nanoclusters presented in this work will stimulate and broaden research on nanoscale isomerism.


Keywordscrystalsgoldhydrocarbons

Free keywordscrystal structure; gold; hydrocarbons; molecular structure; nanoclusters


Contributing organizations


Ministry reportingYes

VIRTA submission year2024

Preliminary JUFO rating3


Last updated on 2024-19-10 at 20:06