Liao YK, Bruzzese PC, Hartmann M, Poppl A, Chiesa M (2021)
Publication Type: Journal article
Publication year: 2021
X-/Q-band electron paramagnetic resonance (EPR) and hyperfine sublevel correlation (HYSCORE) spectroscopies have been employed, in conjunction with density functional theory (DFT) modeling, to determine the location of Cr5+ions in SAPO-5 zeotype materials. The interaction of the unpaired electron of the paramagnetic Cr5+ species with 27Al could be resolved, allowing for the first detailed structural analysis of Cr5+ paramagnetic ions in SAPO materials. The interpretation of the experimental results is corroborated by DFT modeling, which affords a microscopic description of the system investigated. The EPR-active species is found to be consistent with isolated Cr5+ species isomorphously substituted in the framework at P5+ sites.
APA:
Liao, Y.K., Bruzzese, P.C., Hartmann, M., Poppl, A., & Chiesa, M. (2021). Chromium Environment within Cr-Doped Silico-Aluminophosphate Molecular Sieves from Spin Density Studies. Journal of Physical Chemistry C. https://doi.org/10.1021/acs.jpcc.0c09484
MLA:
Liao, Yu Kai, et al. "Chromium Environment within Cr-Doped Silico-Aluminophosphate Molecular Sieves from Spin Density Studies." Journal of Physical Chemistry C (2021).
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