17O-EPR determination of the structure and dynamics of copper single-metal sites in zeolites-Reference-Cited by-同舟云学术

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

Published:2021-07-30 Issue:1 Volume:12 Page:
ISSN:2041-1723
Container-title:Nature Communications
language:en
Short-container-title:Nat Commun

Author:

Bruzzese Paolo Cleto^ORCID,Salvadori Enrico^ORCID,Jäger Stefan,Hartmann Martin,Civalleri Bartolomeo^ORCID,Pöppl Andreas^ORCID,Chiesa Mario^ORCID

Abstract

AbstractThe 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 CuII 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 CuII 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.

Publisher

Springer Science and Business Media LLC

Subject

General Physics and Astronomy,General Biochemistry, Genetics and Molecular Biology,General Chemistry

Link

http://www.nature.com/articles/s41467-021-24935-7.pdf

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