化学
肉桂醛
催化作用
沮丧的刘易斯对
肉桂醇
选择性
氧气
基质(水族馆)
纳米棒
密度泛函理论
路易斯酸
立体化学
化学工程
有机化学
计算化学
工程类
地质学
海洋学
作者
Haishuai Cui,Xiaoqing Liao,YuFan Ren,Yang Zhou,Jing Xiao,Renjie Deng,Yang Lv,Huajie Liu,Pingle Liu,Hai Yang
标识
DOI:10.1016/j.jcat.2023.115126
摘要
Herein, we propose a facile strategy to synthesize oxygen-defect-rich Co3O4@NC porous nanorods derived by in situ pyrolysis of Co-MOF@N, which proves to be frustrated Lewis pairs (FLPs). The oxygen-defect-rich Co3O4@NC with FLPs sites (unliganded Co…N) gives 93.4 % selectivity to cinnamyl alcohol at >99.0 % cinnamaldehyde conversion. Density functional theory calculations reveal that the unliganded Co…N FLP sites can effectively activate cinnamaldehyde and isopropanol and reduce the activation energy barrier, thus significantly improving the catalytic performance. The substrate-extending experiments show that Co3O4@NC presents brighter prospects in the selective transfer hydrogenation of a series of α,β-unsaturated aldehydes.
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