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Thermal alteration in adsorption sites over SAPO-34 zeolite

DOI: 10.1002/anie.202204500 DOI Help

Authors: Guangchao Li (University of Oxford) , Tatchamapan Yoskamtorn (University of Oxford) , Wei Chen (Wuhan Institute of Physics and Mathematics Chinese Academy of Sciences) , Christopher Foo (University of Oxford) , Jianwei Zheng (University of Oxford) , Chiu Tang (Diamond Light Source) , Sarah Day (Diamond Light Source) , Anmin Zheng (Wuhan Institute of Physics and Mathematics Chinese Academy of Sciences) , Molly Meng-Jung Li (The Hong Kong Polytechnic University) , Edman Shik Chi Tsang (University of Oxford)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Angewandte Chemie International Edition

State: Published (Approved)
Published: April 2022

Open Access Open Access

Abstract: Zeolites have found tremendous applications in the chemical industry. However, it is unclear about the dynamic nature of their active sites under the flow of adsorbate molecules for adsorption and catalysis, especially in operando conditions, which could be different from the as-synthesized structures. In the present study, we report a structural transformation of the adsorptive active sites in SAPO-34 zeolite by using acetone as a probe molecule under various temperatures. The combination of solid-state nuclear magnetic resonance, in-situ variable-temperature synchrotron x-ray diffraction, and in-situ diffuse-reflectance infrared Fourier-transform spectroscopy allow a clear identification and quantification that the chemisorption of acetone can convert the classical Brønsted acid site adsorption mode to an induced Frustrated Lewis Pairs adsorption mode at increasing temperatures. Such facile conversion is also supported by the calculations of ab-initio molecular-dynamics simulations. This work sheds new light on the importance of the dynamic structural alteration of active sites in zeolites with adsorbates at elevated temperatures.

Journal Keywords: Zeolites; Frustrated Lewis pair; active sites; Synchrotron x-ray diffraction; Ab initio molecular dynamics simulation

Subject Areas: Materials, Chemistry

Instruments: I11-High Resolution Powder Diffraction

Added On: 27/04/2022 11:05

Angew Chem Int Ed - 2022 - Li - Thermal Alteration in Adsorption Sites over SAPO‐34 Zeolite.pdf

Discipline Tags:

Zeolites Physical Chemistry Catalysis Chemistry Materials Science

Technical Tags:

Diffraction X-ray Powder Diffraction