Confined Ionic Environments Tailoring the Reactivity of Molecules in the Micropores of BEA-Type Zeolite.

ABSTRACT: In the presence of water, hydronium ions formed within the micropores of zeolite H-BEA significantly influence the surrounding environment and the reactivity of organic substrates. The positive charge of these ions, coupled with the zeolite's negatively charged framework, results in an ionic environment that causes a strongly nonideal solvation behavior of cyclohexanol. This leads to a significantly higher excess chemical potential in the initial state and stabilizes at the same time the charged transition state in the dehydration of cyclohexanol. As a result, the free-energy barrier of the reaction is lowered, leading to a marked increase in the reaction rates. Nonetheless, there is a limit to the reaction rate enhancement by the hydronium ion concentration. Experiments conducted with low

SUBMITTER: Kim S 

PROVIDER: S-EPMC11228971 | biostudies-literature | 2024 Jul

REPOSITORIES: biostudies-literature