Enhanced Catalytic Performance of Palladium‐Based Catalysts Modified With the Dibenzofuran Ligand for Acetylene Hydrochlorination

Abstract

ABSTRACTA new palladium‐based catalyst system modified with dibenzofuran (DBF) was developed for acetylene hydrochlorination. The optimal Pd‐DBF/SAC catalyst with the 0.5 wt% Pd loading and the 15 wt% DBF loading exhibits an elevated performance of 99.9% acetylene conversion and 99.9% vinyl chloride selectivity for more than 400 h. Characterization analysis and density functional theory (DFT) simulations revealed that the presence of oxygen‐containing DBF species of the Pd‐DBF/SAC catalyst prevents the reduction and loss of Pd species, inhibits the carbon deposition and enhances the HCl adsorbability, resulting in superior catalytic activity and stability for acetylene hydrochlorination.