Abstract

AbstractA new alkynylated cluster [Au13Ag16(C10H6NO)24]3− is prepared by a NaBH4 mediated reduction method. The AuAg clusters are confirmed by sophisticated characterization techniques. It has a unique “Aucenter@Ag12@Au12Ag4” metal framework which is protected by 24 atypical alkyne ligands L (L=C10H6NO). The ligands construct a unique type of motif L‐(Ag)‐Au‐(Ag)‐L at the cluster interface, where the alkyne (C≡C) group of each L was linked by sharing an Au atom through the σ bonds and each C≡C group was discretely connected to a chemically different Ag atom (Agicosahedral/Agcap) through π bonds. The electronic and optical properties of [Au13Ag16L24]3− were studied. DFT characterized the cluster as a clear 8‐electron superatom, and peaks in the optical absorption spectrum were interpreted in terms of the P and D superatom states. The supported Au13Ag16L24/CeO2 catalyst exhibited high catalytic activity and selectivity towards the A3‐coupling reaction involving benzaldehyde, diethylamine, and phenylacetylene.

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