College of Chemistry, Guangdong University of Petrochemical Technology, Maoming 525000, P. R. China.
Chem Commun (Camb). 2021 Feb 25;57(16):2005-2008. doi: 10.1039/d0cc07856e. Epub 2021 Feb 2.
Nitrogen doped carbon spheres with wrinkled cages (NCSWCs), which were used for the first time as metal-free catalysts, exhibited high catalytic activity and selectivity in the oxidation of 5-hydroxymethylfurfural (HMF) to 5-formyl-2-furancarboxylic acid (FFCA) under base-free conditions using tert-butyl hydroperoxide (TBHP) as the oxidant. The mechanistic studies found that this reaction was catalyzed by the synergy between NCSWCs and TBHP. The density functional theory (DFT) calculations further suggested that the hydroperoxyl radicals from TBHP adsorbed on the carbon atoms adjacent to the graphitic N atoms are the active sites.
氮掺杂褶皱碳笼（NCSWCs）首次被用作无金属催化剂，在无碱条件下使用叔丁基过氧化氢（TBHP）作为氧化剂，在氧化 5-羟甲基糠醛（HMF）为 5-甲酰基-2-糠酸（FFCA）的反应中表现出高催化活性和选择性。机理研究发现，该反应是由 NCSWCs 和 TBHP 的协同作用催化的。密度泛函理论（DFT）计算进一步表明，TBHP 中的过氧自由基吸附在与石墨 N 原子相邻的碳原子上是活性位点。
