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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...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group UK
2022
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Materias: | |
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 |