Chromium Environment within Cr-Doped Silico-Aluminophosphate Molecular Sieves from Spin Density Studies
نویسندگان
چکیده
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 SAPO-5 zeotype materials. The interaction unpaired Cr5+ species 27Al could be resolved, allowing for first detailed structural analysis ions SAPO interpretation experimental results is corroborated by DFT which affords a microscopic description system investigated. EPR-active found consistent isolated isomorphously substituted framework at P5+ sites.
منابع مشابه
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ژورنال
عنوان ژورنال: Journal of Physical Chemistry C
سال: 2021
ISSN: ['1932-7455', '1932-7447']
DOI: https://doi.org/10.1021/acs.jpcc.0c09484