Understanding solvent effects on adsorption and protonation in porous catalysts

Nicholas S. Gould, Sha Li, Hong Je Cho, Harrison Landfield, Stavros Caratzoulas, Dionisios Vlachos, Peng Bai () and Bingjun Xu ()
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Nicholas S. Gould: University of Delaware
Sha Li: University of Delaware
Hong Je Cho: University of Delaware
Harrison Landfield: University of Delaware
Stavros Caratzoulas: University of Delaware
Dionisios Vlachos: University of Delaware
Peng Bai: University of Massachusetts Amherst
Bingjun Xu: University of Delaware

Nature Communications, 2020, vol. 11, issue 1, 1-13

Abstract: Abstract Solvent selection is a pressing challenge in developing efficient and selective liquid phase catalytic processes, as predictive understanding of the solvent effect remains lacking. In this work, an attenuated total reflection infrared spectroscopy technique is developed to quantitatively measure adsorption isotherms on porous materials in solvent and decouple the thermodynamic contributions of van der Waals interactions within zeolite pore walls from those of pore-phase proton transfer. While both the pore diameter and the solvent identity dramatically impact the confinement (adsorption) step, the solvent identity plays a dominant role in proton-transfer. Combined computational and experimental investigations show increasingly favorable pore-phase proton transfer to pyridine in the order: water

Date: 2020
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Persistent link: https://EconPapers.repec.org/RePEc:nat:natcom:v:11:y:2020:i:1:d:10.1038_s41467-020-14860-6

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DOI: 10.1038/s41467-020-14860-6

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