abstract
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.
keywords
SOLID-STATE NMR; P-31 NMR; CATALYSTS
subject category
Chemistry
authors
Bornes, C; Sardo, M; Lin, Z; Amelse, J; Fernandes, A; Ribeiro, MF; Geraldes, C; Rocha, J; Mafra, L
our authors
Carlos Bornes
PhD Student
Jeffrey Amelse
Collaborator
João Rocha
Full Professor
Luís Mafra
Principal Researcher
Mariana Coutinho Sardo
Assistant Researcher
Zhi Lin
Principal Researcheracknowledgements
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.