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Charge-separation driven mechanism via acylium ion intermediate migration during catalytic carbonylation in mordenite zeolite

By employing ab initio molecular dynamic simulations, solid-state NMR spectroscopy, and two-dimensional correlation analysis of rapid scan Fourier transform infrared spectroscopy data, a new pathway is proposed for the formation of methyl acetate (MA) via the acylium ion (i.e.,CH(3) − C ≡ O(+)) in 1...

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Detalles Bibliográficos
Autores principales:	Chen, Wei, Tarach, Karolina A., Yi, Xianfeng, Liu, Zhiqiang, Tang, Xiaomin, Góra-Marek, Kinga, Zheng, Anmin
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group UK 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9675746/ https://www.ncbi.nlm.nih.gov/pubmed/36402761 http://dx.doi.org/10.1038/s41467-022-34708-5

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