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

Research output: Contribution to journalArticlepeer-review

  • External authors:
  • Jiangnan Li
  • Gemma L Smith
  • Yinlin Chen
  • Yujie Ma
  • Mengtian Fan
  • Wanpeng Lu
  • Mark D. Frogley
  • Gianfelice Cinque
  • Sarah J. Day
  • Stephen P. Thompson
  • Yongqiang Cheng
  • Luke L. Daemen
  • Anibal J. Ramirez-cuesta


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.

Bibliographical metadata

Original languageEnglish
JournalAngewandte Chemie International Edition
Early online date23 Jun 2022
Publication statusPublished - 23 Jun 2022