Citation: Zhen Chen, Fei Zhao, Houyu Zhang, Qinqin Wang, Bin Dai. Effects of trifluoromethanesulfonic acid ligand on the Zinc-based catalysts for the acetylene hydration[J]. Chinese Chemical Letters, ;2023, 34(6): 107963. doi: 10.1016/j.cclet.2022.107963 shu

Effects of trifluoromethanesulfonic acid ligand on the Zinc-based catalysts for the acetylene hydration

Zhen Chen ^a ,
Fei Zhao ^{b, c} ,
Houyu Zhang ^b ,
Qinqin Wang ^{a, *,} ,
Bin Dai ^{a, *,}

a.
School of Chemistry and Chemical Engineering, Shihezi University/State Key Laboratory Incubation Base for Green Processing of Chemical Engineering, Shihezi 832000, China
b.
State Key Laboratory of Supramolecular Structure and Materials, Institute of Theoretical Chemistry, College of Chemistry, Jilin University, Changchun 130012, China
c.
School of Chemistry and Chemical Engineering, Taishan University, Tai'an 271000, China

wqq_shzu@sina.com

db_tea@shzu.edu.cn

Received Date: 8 August 2022
Revised Date: 12 October 2022
Accepted Date: 27 October 2022
Available Online: 30 October 2022

Figures(7)

Developing an efficient Zn-based catalyst modified with Trifluoromethanesulfonic acid (TfOH) ligand is extremely desirable for the acetylene hydration reaction. In this paper, with the use of a simple impregnation method, a series of Zn-TfOH/AC catalysts were synthesized, and the Zn-1.5TfOH/AC catalyst demonstrated the optimal catalytic performance with 96% acetylene conversion in the hydration of acetylene. The X-ray absorption fine structure (XAFS) spectra of the fresh Zn-1.5TfOH/AC catalysts demonstrated the establishment of the Zn-O4 coordination structure. According to the characterization results, TfOH ligands effectively inhibited carbon accumulation and Zinc loss, improved acidic sites and the dispersion of active metal, and produced more catalytic active site. Furthermore, the hydration reaction mechanism of Zn-TfOH/AC catalyst with Zn(OTf)₂, TfO-ZnCl, and TfO-ZnOH complex configurations was explored by the Density Functional Theory (DFT) method, which showed that the activation barrier increased sequentially TfO-ZnOH < Zn(OTf)₂ < TfO-ZnCl. Importantly, the OH⁻ in TfO-ZnOH is involved in the reaction and regenerated by the dissociation of H₂O, which lowers the energy barrier. This will provide a reference to design more efficient nonmercury catalysts for acetylene hydration.
- Acetylene hydration,
- Acetaldehyde,
- Zn-ligand catalysts,
- XAFS,
- DFT computation
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