H-1-P-31 HETCOR NMR elucidates the nature of acid sites in zeolite HZSM-5 probed with trimethylphosphine oxide


Two-dimensional H-1-P-31 heteronuclear correlation NMR of trimethylphosphine oxide (TMPO) adsorbed in zeolites, in tandem with DFT calculations, challenges previous one-dimensional P-31 NMR assignments, enabling the unambiguous discrimination of Bronsted and Lewis acid sites, extending the understanding of TMPO:Bronsted complexes formed with distinct stoichiometries at the HZSM-5 zeolite surface, and the proton-transfer mechanism.






Bornes, C; Sardo, M; Lin, Z; Amelse, J; Fernandes, A; Ribeiro, MF; Geraldes, C; Rocha, J; Mafra, L

nossos autores


This work was developed in the scope of the project CICECO-Aveiro Institute of Materials (FCT Ref. UID/CTM/50011/2019), financed by national funds through FCT/MEC. The NMR spectrometers are part of the National NMR Network (PTNMR) and are partially supported by Infrastructure Project No. 022161 (co-financed by FEDER through COMPETE 2020, POCI and PORL and FCT through PIDDAC). Carlos Bornes acknowledges FCT for the doctoral fellowship PD/BD/142849/2018 integrated in the PhD Programme in NMR applied to chemistry, materials and biosciences (PD/00065/2013). Carlos Geraldes acknowledges FCT financing of the CQC research unit through project 007630 UID/QUI/00313/2013, co-funded by COMPETE2020-UE. AF and FR acknowledge FCT financing of the CQE research unit through project UID/QUI/00100/2019.

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