17O-EPR determination of the structure and dynamics of copper single-metal sites in zeolites

Bruzzese PC, Salvadori E, Jäger S, Hartmann M, Civalleri B, Pöppl A, Chiesa M (2021)

Publication Type: Journal article

Publication year: 2021

Journal

Nature Communications Nature Publishing Group: Nature Communications

Book Volume: 12

Article Number: 4638

Journal Issue: 1

DOI: 10.1038/s41467-021-24935-7

Abstract

The bonding of copper ions to lattice oxygens dictates the activity and selectivity of copper exchanged zeolites. By ¹⁷O isotopic labelling of the zeolite framework, in conjunction with advanced EPR methodologies and DFT modelling, we determine the local structure of single site Cu^II species, we quantify the covalency of the metal-framework bond and we assess how this scenario is modified by the presence of solvating H2¹⁶O or H2¹⁷O molecules. This enables to follow the migration of Cu^II species as a function of hydration conditions, providing evidence for a reversible transfer pathway within the zeolite cage as a function of the water pressure. The results presented in this paper establish ¹⁷O EPR as a versatile tool for characterizing metal-oxide interactions in open-shell systems.

Authors with CRIS profile

Stefan Jäger Interdisziplinäres Zentrum Erlangen Catalysis Resource Center (ECRC) Martin Hartmann Professur für Katalyse

Involved external institutions

University of Turin / Università degli Studi di Torino (UNITO)

Italy (IT) Universität Leipzig

Germany (DE)

How to cite

APA:

Bruzzese, P.C., Salvadori, E., Jäger, S., Hartmann, M., Civalleri, B., Pöppl, A., & Chiesa, M. (2021). 17O-EPR determination of the structure and dynamics of copper single-metal sites in zeolites. Nature Communications, 12(1). https://dx.doi.org/10.1038/s41467-021-24935-7

MLA:

Bruzzese, Paolo Cleto, et al. "17O-EPR determination of the structure and dynamics of copper single-metal sites in zeolites." Nature Communications 12.1 (2021).

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