Competing on the same stage: Ru-based catalysts modified by basic ligands and organic chlorine salts for acetylene hydrochlorination. Issue 16 (1st July 2022)

• Record Type: Journal Article
• Authors: Li, Yongwang; Wang, Fumin; Wu, Botao; Wang, Xingtao; Sun, Mingshuai; Zhang, Zhengliang; Zhang, Xubin
• Is Part Of: Catalysis science & technology. Volume 12:Issue 16(2022)
• Page Start: 5086
• Page End: 5096
• Publication Date: 2022-07-01
• Subjects: Catalysis -- Periodicals; 541.395
• DOI: 10.1039/d2cy00716a
• Languages: English
• ISSNs: 2044-4753

Abstract

Abstract : The lower the minimum surface electrostatic potential of the ligand, the better the modification effect on Ru-based catalysts. The modification effect of HMTA and DABCO on Ru-based catalysts is greatly improved when they are prepared into organic chlorine salts. Abstract : To provide references for the search of efficient ligands for acetylene hydrochlorination, various basic ligands with different alkaline gradients have been employed to modify Ru-based catalysts, and a rule that the stronger the alkalinity of the ligand, the better the modification effect is established. The minimum surface electrostatic potential calculated by DFT supported this conclusion and is deemed as a descriptor to predict the modification effect of ligands. Moreover, these ligands and the corresponding organic chlorine salts have been compared on the same stage to determine which of these are superior for modifying Ru-based catalysts. Owing to the cage structures with multiple approachable N sites, [HHMTA]Cl and [HDABCO]Cl performed remarkably better than HMTA and DABCO despite little differences between other organic chlorine salts and corresponding ligands. When efficient ionic liquids in gas–solid reactions were used in gas–liquid reactions, the opposite result was found. It is the viscosity that conceals the role of highly efficient ionic liquids in gas–liquid reactions, which points out a breakthrough for research on gas–liquid reactions in acetylene hydrochlorination.