Direct structural identification of carbenium ions and investigation of host-guest interaction in the methanol to olefins reaction obtained by multinuclear NMR correlations

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Abstract

Probing and determining the intermediates formed during catalytic reactions in heterogeneous catalysis are strong challenges. Using 13C labelling and two dimensional 13C-13C through-bond NMR correlations, we directly reveal the structures of a range of carbenium ion species formed during the conversion of methanol to olefins on acidic H-ZSM-5 zeolite by mapping the carbon-carbon bond connectivities. Additionally, we use 13C-27Al and 29Si-13C through-space NMR experiments to probe the interactions between the confined carbon species (including carbenium ions) and the framework of the zeolite, which quantitatively provide an estimate for the carbon-aluminium and carbon-silicon distances, respectively.

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Xiao, D., Xu, S., Han, X., Bao, X., Liu, Z., & Blanc, F. (2017). Direct structural identification of carbenium ions and investigation of host-guest interaction in the methanol to olefins reaction obtained by multinuclear NMR correlations. Chemical Science, 8(12), 8309–8314. https://doi.org/10.1039/c7sc03657d

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