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

Probing and determining the intermediates formed during catalytic reactions in heterogeneous catalysis are strong challenges. Using 13 C labelling and two dimensional 13 C- 13 C 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 13 C- 27 Al and 29 Si- 13 C 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. Structural identification of carbenium ion intermediates and quantitative investigation of their interactions with zeolite H-ZSM-5 by multinuclear MAS NMR.