Atomically precise gold nanocluster boosting selective hydrogenation of nitroarene by H₂ in water.

ABSTRACT: The chemoselective hydrogenation of molecules containing multiple reducible groups using H2 presents inherent challenges. Here we show a homoleptic nanocluster [Au40(ArC≡C)22](Et4N)2 (Au40 for short, ArC≡C is 3,5-bis(trifluoromethyl)-phenylacetylide) is synthesized in high yield and its structure is elucidated using single-crystal X-ray diffraction. DFT calculations reveals that Au40 features a superatomic 20-electron configuration of (1S)2(1P)6(1D)10(1F)2. Au40/TiO2 exhibits 100% selectivity and activity for the hydrogenation of 4-nitroacetophenone in water, free of base and under mild conditions (80 °C, H2 10 bar). The turnover numbers reach a value of 335,569, and the turnover frequencies 5829 h-1 is an order of magnitude higher than those observed in the well-established Au/TiO2 system

SUBMITTER: Lai XX 

PROVIDER: S-EPMC12375014 | biostudies-literature | 2025 Aug

REPOSITORIES: biostudies-literature