碳酸钾/二氧化钛催化苯酯化反应的机理研究：多功能界面的催化作用
Mechanistic investigation of benzene esterification by KCO/TiO: the catalytic role of the multifunctional interface.
作者信息
Meeprasert Jittima, Li Guanna, Pidko Evgeny A
机构信息
Inorganic Systems Engineering, Department of Chemical Engineering, Delft University of Technology, The Netherlands.
Biobased Chemistry and Technology, Wageningen University & Research, The Netherlands.
出版信息
Chem Commun (Camb). 2021 Aug 10;57(64):7890-7893. doi: 10.1039/d1cc02513a.
Abstract
Potassium carbonate dispersed over a defective TiO2 support (K2CO3/TiO2) is an efficient catalyst for benzene esterification with CO2 and CH3OH. Density functional theory calculations reveal that this unique catalytic reactivity originates from the cooperation of the Ti3+/K+ surface sites. The K2CO3 promotor steers the stabilization of surface intermediates thus preventing catalyst deactivation.
摘要
负载于缺陷型二氧化钛载体上的碳酸钾（K2CO3/TiO2）是用于苯与二氧化碳及甲醇进行酯化反应的高效催化剂。密度泛函理论计算表明，这种独特的催化活性源于Ti3+/K+表面位点的协同作用。碳酸钾促进剂能引导表面中间体的稳定化，从而防止催化剂失活。
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