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

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.

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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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