Single-atom Ru catalyst for selective synthesis of 3-pentanone via ethylene hydroformylation
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Author(s)
Dang, Y
Lin, T
Mei, B
Wu, B
Li, X
Li, S
Jiang, Z
Tang, Z
Zhong, L
Sun, Y
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Abstract
A Ru single-atom (Ru SA) catalyst supported on activated carbon was adopted to synthesize 3-pentanone with 83.3% selectivity via heterogeneous ethylene hydroformylation, while 52.1% ethane selectivity was obtained for Ru nanoparticles (Ru NPs). The atomically dispersed Ru species with oxidation state (Ruδ+) and Ru-C4O coordination structure were identified as the active sites for efficient C-C coupling to generate 3-pentanone, while metallic Ru nanoparticles exhibited high activity for ethylene hydrogenation to ethane. Density functional theory (DFT) calculation revealed that the energy barrier of the direct coupling of C2H5CO∗ with C2H5∗ to form 3-pentanone on Ru SA was much lower than that on Ru NPs. As a result, the formation of 3-pentanone over Ru SA was more favourable than propanal, which was admittedly generated via coupling of C2H5CO∗ and H∗. This strategy may provide a potential green route for the one-pot synthesis of 3-pentanone with high atomic economy.
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Green Chemistry
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23
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22
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Analytical chemistry
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Qin, T; Dang, Y; Lin, T; Mei, B; Wu, B; Li, X; Li, S; Jiang, Z; Tang, Z; Zhong, L; Sun, Y, Single-atom Ru catalyst for selective synthesis of 3-pentanone: Via ethylene hydroformylation, Green Chemistry, 2021, 23 (22), pp. 9038-9047