In Situ NMR and Kinetics Reveal Origins of Regioselectivity Differences for Epichlorohydrin Ring-Opening in Lewis and Bronsted Acid Zeolites.

ABSTRACT: Altering the quantities and organization of reactive species at active sites enables control of turnover rates and regioselectivities (rate ratios) for ring-opening of epichlorohydrin (C₃H₅ClO) across two orders of magnitude. Kinetic analysis suggests that parallel monomolecular (S_N1) and bimolecular (S_N2) substitution mechanisms contribute to observed rates of C₃H₅ClO reactions with methanol (CH₃OH) over both Lewis (Sn-BEA) and Brønsted acid (Al-BEA) zeolites in liquid solvents. In situ solid-state ¹³C-nuclear magnetic resonance spectroscopy (SS-NMR) measurements give direct evidence for the proposed ring-opened carbocations and activated CH₃OH intermediates over these catalysts. Interpretat

SUBMITTER: Potts DS 

PROVIDER: S-EPMC12684356 | biostudies-literature | 2025 Dec

REPOSITORIES: biostudies-literature