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Evidence of water promotes cyclohexanol adsorption and dehydration over H-ZSM-5 zeolite

Author

Listed:
  • Yaqi Hu

    (Nankai University)

  • Runze Liu

    (Nankai University)

  • Kaiyun Lu

    (Nankai University)

  • Daoning Wu

    (Nankai University
    Chinese Academy of Sciences)

  • Pan Gao

    (Chinese Academy of Sciences)

  • Guangjin Hou

    (Chinese Academy of Sciences)

  • Hongbo Zhang

    (Nankai University
    Haihe Laboratory of Sustainable Chemical Transformations)

  • Weili Dai

    (Nankai University)

Abstract

Hydrated hydronium ions formed in the pores/cages of zeolite catalysts are suggested as the active species that could impact the adsorption of reactant, the stability of intermediates or transition states, and the reaction mechanism in the aqueous phase alcohol dehydration. Nevertheless, under a typical vapor phase reaction condition, the relevant situation is still debatable. Herein, the promotion of water on cyclohexanol (CyOH) adsorption and dehydration under a vapor phase condition was clarified by in situ 1H MAS NMR, 2D 1H DQ MAS NMR and 2D 1H-27Al HMQC NMR spectroscopy, systematic kinetic studies, isotope tracing and thermodynamic measurements. The water promoting effects were ascribed to water facilitating the formation of H3O+ cluster (H3O+(H2O)n-1), and per Brønsted acid site (BAS) could be saturated by about 5 water at ambient temperature. The CyOH dehydration pathway was found to be highly dependent on the water concentrations, and a dimer reaction route with the C-H bond rupture as the kinetically relevant step (KRS) was verified as the main reaction pathway at high water concentrations. All these findings provide the deep insights into how water regulating the zeolite catalyzed dehydration reaction at a molecular level.

Suggested Citation

  • Yaqi Hu & Runze Liu & Kaiyun Lu & Daoning Wu & Pan Gao & Guangjin Hou & Hongbo Zhang & Weili Dai, 2025. "Evidence of water promotes cyclohexanol adsorption and dehydration over H-ZSM-5 zeolite," Nature Communications, Nature, vol. 16(1), pages 1-12, December.
    • Handle: RePEc:nat:natcom:v:16:y:2025:i:1:d:10.1038_s41467-025-61150-0
    DOI: 10.1038/s41467-025-61150-0
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    References listed on IDEAS

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    1. Shu Zhao & Fang Chen & Sibin Duan & Bin Shao & Tianbo Li & Hailian Tang & Qingquan Lin & Junying Zhang & Lin Li & Jiahui Huang & Nicolas Bion & Wei Liu & Hui Sun & Ai-Qin Wang & Masatake Haruta & Bota, 2019. "Remarkable active-site dependent H2O promoting effect in CO oxidation," Nature Communications, Nature, vol. 10(1), pages 1-9, December.
    2. Hui Shi & Sebastian Eckstein & Aleksei Vjunov & Donald M. Camaioni & Johannes A. Lercher, 2017. "Tailoring nanoscopic confines to maximize catalytic activity of hydronium ions," Nature Communications, Nature, vol. 8(1), pages 1-7, August.
    3. Yuanshuai Liu & Aleksei Vjunov & Hui Shi & Sebastian Eckstein & Donald M. Camaioni & Donghai Mei & Eszter Baráth & Johannes A. Lercher, 2017. "Enhancing the catalytic activity of hydronium ions through constrained environments," Nature Communications, Nature, vol. 8(1), pages 1-8, April.
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