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Updated: Sep 15, 2025

A Microwave-Assisted Direct Heteroarylation of Ketones Using Transition Metal Catalysis
Published on: February 16, 2020
Pd@PdBOx heterostructure with strong electronic interaction to promote C─H bond activation for glycerol oxidation
Zhenyu Li1,2, Kunhong Jiang1, Yue Yang3
1Inner Mongolia Key Laboratory of Rare Earth Catalysis, Inner Mongolia Engineering and Technology Research Center for Catalytic Conversion and Utilization of Carbon Resource Molecules, School of Chemistry and Chemical Engineering, Inner Mongolia University, Hohhot 010021, China.
Abstract:
Glycerol oxidation reaction (GOR) represents an economical pathway for transforming renewable feedstock to value-added chemicals. However, the inertness of C(sp3)─H bonds of glycerol and intermediates results in the high energy barrier of the dehydrogenation step, relating to poor product selectivity at high glycerol conversion. Here, a carbon nanotube-supported PdBOx@Pd heterostructure catalyst (PdBOx@Pd/CNTs) was synthesized in which in situ-exsoluted PdBOx clusters covalently covered Pd nanoparticles, thus yielding strong electronic interaction between Pd nanoparticles and PdBOx clusters. The strong electronic interaction in PdBOx@Pd/CNTs induces the hybridization between Pd(d), B(s, p), and O(s, p) atom orbits, optimizing the adsorption of reactants and intermediates, thus enhancing the activity for the GOR. The density functional theory calculation result reveals that the strong electronic interaction in PdBOx@Pd/CNTs facilitates the hydrogen transfer in the primary C─H bond of the CH2OHCHOHCH2O* intermediate, thus reducing the energy barrier of the rate-determining step and improving glyceric acid selectivity toward the GOR.
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