Enhancing the catalytic activity of hydronium ions through constrained environments

نویسندگان

  • Yuanshuai Liu
  • Aleksei Vjunov
  • Hui Shi
  • Sebastian Eckstein
  • Donald M Camaioni
  • Donghai Mei
  • Eszter Baráth
  • Johannes A Lercher
چکیده

The dehydration of alcohols is involved in many organic conversions but has to overcome high free-energy barriers in water. Here we demonstrate that hydronium ions confined in the nanopores of zeolite HBEA catalyse aqueous phase dehydration of cyclohexanol at a rate significantly higher than hydronium ions in water. This rate enhancement is not related to a shift in mechanism; for both cases, the dehydration of cyclohexanol occurs via an E1 mechanism with the cleavage of Cβ-H bond being rate determining. The higher activity of hydronium ions in zeolites is caused by the enhanced association between the hydronium ion and the alcohol, as well as a higher intrinsic rate constant in the constrained environments compared with water. The higher rate constant is caused by a greater entropy of activation rather than a lower enthalpy of activation. These insights should allow us to understand and predict similar processes in confined spaces.

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عنوان ژورنال:

دوره 8  شماره 

صفحات  -

تاریخ انتشار 2017