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Structural and dynamic analysis of adsorption of sulphur dioxide in a series of Zr‐based metal‐organic frameworks

DOI: 10.1002/anie.202207259 DOI Help

Authors: Jiangnan Li (University of Manchester) , Gemma L. Smith (University of Manchester) , Yinlin Chen (University of Manchester) , Yujie Ma (University of Manchester) , Meredydd Kippax-Jones (University of Manchester) , Mengtian Fan (University of Manchester) , Wanpeng Lu (University of Manchester) , Mark D. Frogley (Diamond Light Source) , Gianfelice Cinque (Diamond Light Source) , Sarah Day (Diamond Light Source) , Stephen P. Thompson (Diamond Light Source) , Yongqiang Cheng (Oak Ridge National Laboratory) , Luke L. Daemen (Oak Ridge National Laboratory) , Anibal J. Ramirez-Cuetos (Oak Ridge National Laboratory) , Martin Schroeder (University of Manchester) , Sihai Yang (University of Manchester)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Angewandte Chemie International Edition

State: Published (Approved)
Published: June 2022
Diamond Proposal Number(s): 28497 , 29649

Open Access Open Access

Abstract: We report reversible high capacity adsorption of SO2 in robust Zr-based metal-organic frameworks (MOFs). Zr-bptc (H4bptc = biphenyl-3,3’,5,5’-tetracarboxylic acid) shows a high SO2 uptake of 6.2 mmol g-1 at 0.1 bar and 298 K, reflecting excellent capture capability and removal of SO2 at low concentration (2500 ppm). Dynamic breakthrough experiments confirm that the introduction of amine, atomically-dispersed Cu(II) or heteroatomic sulphur sites into the pores enhance the capture of SO2 at low concentrations. The captured SO2 can be converted quantitatively to a pharmaceutical intermediate, aryl N-aminosulfonamide, thus converting waste to chemical values. In situ X-ray diffraction, infrared micro-spectroscopic and inelastic neutron scattering enable the visualisation of the binding domains of adsorbed SO2 molecules and host-guest binding dynamics in these materials at the atomic level. The refinement of pore environment plays a critical role in designing efficient sorbent materials.

Journal Keywords: metal-organic framework; sulfur dioxide; capture; crystallography; conversion

Diamond Keywords: Gas Separation

Subject Areas: Chemistry, Materials, Environment

Instruments: B22-Multimode InfraRed imaging And Microspectroscopy , I11-High Resolution Powder Diffraction

Other Facilities: VISION at Oak Ridge National Laboratory

Added On: 27/06/2022 11:52

Discipline Tags:

Desertification & Pollution Earth Sciences & Environment Chemistry Materials Science Chemical Engineering Engineering & Technology Metal-Organic Frameworks Metallurgy Organometallic Chemistry

Technical Tags:

Diffraction Spectroscopy X-ray Powder Diffraction Infrared Spectroscopy Synchtron-based Fourier Transform Infrared Spectroscopy (SR-FTIR)