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Synthesis and Characterization of Functionalized Metal-organic Frameworks
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Simultaneous Boost of SF6 Adsorption Capacity and Kinetics Through Isoreticular Functionalization of

Xiang-Yu Li1, Yan-Long Zhao1, Xin Zhang1

  • 1State Key Laboratory of Materials Low-Carbon Recycling, Department of Chemical Engineering, College of Materials Science & Engineering, Beijing University of Technology, Beijing, PR China.

Angewandte Chemie (International Ed. in English)
|January 29, 2026
PubMed
Summary
This summary is machine-generated.

Researchers enhanced sulfur hexafluoride (SF6) capture using functionalized metal-organic frameworks (MOFs). This new material, BUT-125, shows record SF6 adsorption capacity and faster uptake kinetics for improved greenhouse gas removal.

Keywords:
SF6 captureadsorption kineticsmetal‐organic frameworkmolecular trapspore engineeringpyridine functionalization

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Area of Science:

  • Materials Science
  • Environmental Chemistry
  • Chemical Engineering

Background:

  • Sulfur hexafluoride (SF6) is a potent greenhouse gas, making its capture crucial for environmental protection.
  • Industrial effluent streams often contain SF6 at low concentrations, posing challenges for effective capture due to its chemical inertness.

Purpose of the Study:

  • To enhance the dynamic SF6 capture capacity by improving both adsorption capacity and uptake kinetics.
  • To develop novel metal-organic frameworks (MOFs) for efficient SF6 sequestration.

Main Methods:

  • Isoreticular functionalization of zinc-pyrazolate metal-organic frameworks (MOFs) by replacing benzene with pyridine in the ligand.
  • Synthesis of the functionalized MOF, designated BUT-125.
  • Gas adsorption measurements at specified conditions (0.1 bar, 298 K) and SF6/N2 mixture analysis.
  • Density Functional Theory (DFT) calculations to elucidate interaction mechanisms.

Main Results:

  • BUT-125 achieved a record SF6 adsorption capacity of 3.57 mmol cm-3, a 27% improvement over its analogue Zn-DPB.
  • Pyridine functionalization was shown via DFT to strengthen C─H···F interactions with SF6.
  • BUT-125 demonstrated exceptional adsorption kinetics, leading to a dynamic SF6 capture capacity of 3.42 mmol cm-3 from a 10/90 SF6/N2 mixture.

Conclusions:

  • Isoreticular functionalization of zinc-pyrazolate MOFs is an effective strategy for enhancing SF6 capture.
  • BUT-125 exhibits superior SF6 adsorption capacity and kinetics compared to existing porous sorbents.
  • The developed MOF offers a promising solution for mitigating SF6 emissions from industrial sources.