Local Structure of Copper Centers Obtained during Solid-Phase Synthesis in Copper–Mordenite Zeolite

• Published in: Technical physics Vol. 66; no. 9; pp. 1018 - 1024
• Main Authors: Pryadchenko, V. V., Sukharina, G. B., Ermakova, A. M., Bazovaya, S. V., Kurzina, T. I., Durymanov, V. A., Tolstopyatenko, V. A., Srabionyan, V. V., Avakyan, L. A., Bugaev, L. A.
• Format: Journal Article
• Language: English
• Published: Moscow Pleiades Publishing 01.09.2021; Springer; Springer Nature B.V
• Subjects: Analysis; Atomic structure; Classical and Continuum Physics; Copper; Density functional theory; Density functionals; Ion exchange; Physics; Physics and Astronomy; Solid phase synthesis; X ray absorption; Zeolites
• ISSN: 1063-7842; 1090-6525
• DOI: 10.1134/S1063784221070124

The influence of temperature conditions for synthesis on the nearest-neighbor environment of copper atoms in copper–mordenite zeolites produced by solid-phase ion exchange has been investigated. The models of the local atomic structure of active copper centers in copper–mordenite zeolite at 300 and 400°C have been established using two complementary techniques: X-ray absorption spectroscopy and density functional theory. It has been found that, at 300°C, the copper atom does not have another one in its nearest-neighbor environment (monocentric model), whereas at 400°C the center contains at least two copper atoms, which form Cu–O–Cu bridges. The structural parameters of Cu–O bonds have been determined.