Constructed Pt active domain to catalyze acetylene hydrochlorination efficiently

Abstract

In industry, liquid acetone is commonly used to store acetylene. The oxygen atoms in acetone molecules are more electronegative, whereas the C atoms in acetylene molecules are more electronegative, creating an electrical difference that results in electrostatic interactions between acetone and acetylene molecules. This interaction enhances the intermolecular forces between acetone and acetylene, suggesting that the presence of a CO structure may promote the adsorption and activation of acetylene molecules. In this study, a series of phenyl-based ligands containing X = O (X = C, N, S, and P) structures were used to prepare Pt-L_x/AC catalysts via the impregnation method. Performance evaluation revealed that the Pt-L₅/AC catalyst, with 4-nitrosophenol (L₅) as the ligand, exhibited the best catalytic performance. System characterization and theoretical calculations indicated that the N = O structure in the L₅ ligand enhances the electronic structure of the catalyst’s active center, while the benzene ring further optimizes the catalytic reaction microenvironment. Theoretical results also show that H₂PtCl₆ molecules with 4-nitrosophenol ligands have significant advantages in acetylene hydrochlorination kinetics, likely due to the dispersion of the electron density of the Pt core by the L₅ ligands. The addition of chlorine atoms to the CC bond of C₂H₂ molecules releases a substantial amount of energy, making the reaction irreversible and more thermodynamically favorable, and by using HCL molecules to dynamically compensate the active domain of Pt-based catalyst, the performance of Pt-based catalyst can be improved.