Bronsted/Lewis acid sites synergistically promote the initial C-C bond formation in the MTO reaction.

ABSTRACT: The methanol-to-olefin (MTO) reaction is an active field of research due to conflicting mechanistic proposals for the initial carbon-carbon (C-C) bond formation. Herein, a new methane-formaldehyde pathway, a Lewis acid site combined with a Brønsted acid site in zeolite catalysts can readily activate dimethyl ether (DME) to form ethene, is identified theoretically. The mechanism involves a hydride transfer from Al-OCH₃ on the Lewis acid site to the methyl group of the protonated methanol molecule on the adjacent Brønsted acid site leading to synchronous formation of methane and Al-COH₂ ⁺ (which can be considered as formaldehyde (HCHO) adsorbed on the Al³⁺ Lewis acid sites). The strong electrophilic character of the Al-COH₂ ⁺

SUBMITTER: Chu Y 

PROVIDER: S-EPMC6115684 | biostudies-literature | 2018 Aug

REPOSITORIES: biostudies-literature