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17O-EPR determination of the structure and dynamics of copper single-metal sites in zeolites
- Source :
- Nature Communications, Nature Communications, Vol 12, Iss 1, Pp 1-13 (2021)
- Publication Year :
- 2021
- Publisher :
- Springer Science and Business Media LLC, 2021.
-
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 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.<br />The identification of catalytically active sites with atomic-scale precision occupies a central place in the theory and practice of heterogeneous catalysis. Here the authors assess the nature of the copper-oxygen bond in a Cu-CHA zeolite and recover the microscopic structure of single-metal sites.
- Subjects :
- Science
General Physics and Astronomy
chemistry.chemical_element
010402 general chemistry
Heterogeneous catalysis
01 natural sciences
Article
General Biochemistry, Genetics and Molecular Biology
Ion
law.invention
Metal
law
Molecule
Porous materials
Zeolite
Electron paramagnetic resonance
Multidisciplinary
Catalytic mechanisms
010405 organic chemistry
Chemistry
General Chemistry
Copper
0104 chemical sciences
visual_art
visual_art.visual_art_medium
Physical chemistry
Selectivity
Subjects
Details
- ISSN :
- 20411723
- Volume :
- 12
- Database :
- OpenAIRE
- Journal :
- Nature Communications
- Accession number :
- edsair.doi.dedup.....99f058acbf887346c15da62186e7d034
- Full Text :
- https://doi.org/10.1038/s41467-021-24935-7