{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Chu Y"],"funding":["Chinese Academy of Sciences","Natural Science Foundation of Hubei Province","National Natural Science Foundation of China"],"pagination":["6470-6479"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC6115684"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["9(31)"],"pubmed_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-OCH<sub>3</sub> 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-COH<sub>2</sub> <sup>+</sup> (which can be considered as formaldehyde (HCHO) adsorbed on the Al<sup>3+</sup> Lewis acid sites). The strong electrophilic character of the Al-COH<sub>2</sub> <sup>+</sup> "],"journal":["Chemical science"],"pubmed_title":["Bronsted/Lewis acid sites synergistically promote the initial C-C bond formation in the MTO reaction."],"pmcid":["PMC6115684"],"funding_grant_id":["2018CFA009","21403290, 21522310, 21473244, 91645112, 21773296, U1501501","QYZDB-SSW-SLH026"],"pubmed_authors":["Yi X","Li C","Chu Y","Zheng A","Sun X"],"additional_accession":[]},"is_claimable":false,"name":"Bronsted/Lewis acid sites synergistically promote the initial C-C bond formation in the MTO reaction.","description":"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-OCH<sub>3</sub> 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-COH<sub>2</sub> <sup>+</sup> (which can be considered as formaldehyde (HCHO) adsorbed on the Al<sup>3+</sup> Lewis acid sites). The strong electrophilic character of the Al-COH<sub>2</sub> <sup>+</sup> ","dates":{"release":"2018-01-01T00:00:00Z","publication":"2018 Aug","modification":"2026-05-05T23:15:51.643Z","creation":"2019-03-27T00:01:47Z"},"accession":"S-EPMC6115684","cross_references":{"pubmed":["30310577"],"doi":["10.1039/c8sc02302f"]}}