biostudies-literatureChu YChinese Academy of SciencesNatural Science Foundation of Hubei ProvinceNational Natural Science Foundation of China6470-6479https://www.ebi.ac.uk/biostudies/studies/S-EPMC6115684biostudies-literatureUnknown9(31)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 ⁺ Chemical scienceBronsted/Lewis acid sites synergistically promote the initial C-C bond formation in the MTO reaction.PMC61156842018CFA00921403290, 21522310, 21473244, 91645112, 21773296, U1501501QYZDB-SSW-SLH026Yi XLi CChu YZheng ASun XfalseBronsted/Lewis acid sites synergistically promote the initial C-C bond formation in the MTO reaction.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 ⁺ 2018-01-01T00:00:00Z2018 Aug2026-05-05T23:15:51.643Z2019-03-27T00:01:47ZS-EPMC61156843031057710.1039/c8sc02302f