Efficient hydrogenolysis of aryl ethers over Ce-MOF supported Pd NPs under mild conditions: mechanistic insight using density functional theoretical calculations
Ashish Kumar Kar, Surinder Kaur, T. J. Dhilip Kumar, Rajendra Srivastava
Abstract
The significant Pd<sup>0</sup> content and optimum bonding of the reactant & product (higher adsorption energy of benzyl phenyl ether and lower desorption energy for phenol) are responsible for the exceptional catalytic activity of Pd/Ce-MOF.
Topics & Concepts
HydrogenolysisCatalysisChemistryArylPhenolDensity functional theoryAdsorptionEtherDesorptionSynergistic catalysisOrganic chemistryComputational chemistryAlkylCarbon dioxide utilization in catalysisCatalysis and Hydrodesulfurization StudiesNanomaterials for catalytic reactions