The Structure of Monomeric Hydroxo-C-II Species in Cu-CHA. A Quantitative Assessment

Bruzzese PC, Salvadori E, Civalleri B, Jäger S, Hartmann M, Poeppl A, Chiesa M (2022)

Publication Type: Journal article

Publication year: 2022

Journal

Journal of the American Chemical Society American Chemical Society

DOI: 10.1021/jacs.2c06037

Abstract

Using EPR and HYSCORE spectroscopies in conjunction with ab initio calculations, we assess the structure of framework-bound monomeric hydroxo-Cu-II in copper-loaded chabazite (CHA). The species is an interfacial distorted square-planar [(CuOH)-O-II(O-8MRs)(3)] complex located at eight-membered-ring windows, displaying three coordinating bonds with zeolite lattice oxygens and the hydroxo ligand hydrogen-bonded to the cage. The complex has a distinctive EPR signature with g = [2.072 2.072 2.290], (Cu)A= [30 30 410] MHz, and (H)A = [-13.0 -4.5 +11,5] MHz, distinctively different from other Cu-II species in CHA.

Authors with CRIS profile

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

Involved external institutions

Universität Leipzig DE Germany (DE) University of Turin / Università degli Studi di Torino (UNITO) IT Italy (IT)

How to cite

APA:

Bruzzese, P.C., Salvadori, E., Civalleri, B., Jäger, S., Hartmann, M., Poeppl, A., & Chiesa, M. (2022). The Structure of Monomeric Hydroxo-C-II Species in Cu-CHA. A Quantitative Assessment. Journal of the American Chemical Society. https://doi.org/10.1021/jacs.2c06037

MLA:

Bruzzese, Paolo Cleto, et al. "The Structure of Monomeric Hydroxo-C-II Species in Cu-CHA. A Quantitative Assessment." Journal of the American Chemical Society (2022).

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