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Xenon/Krypton Separation on a Bromine Functionalized Benzimidazole-Linked Porous Covalent Organic Polymer
Sattwick Haldar1,2, Karen M Garcia Alvarez2, Christopher Bachetzky3
1Department of Chemistry, Indian Institute of Technology (IIT), Tirupati, Andhra Pradesh 517619, India.
ACS Applied Materials & Interfaces
|April 27, 2026
Summary
Bromine functionalization of porous polymers enhances xenon/krypton (Xe/Kr) separation by creating specific interactions. This novel approach offers improved Xe uptake and selectivity for noble gas separation applications.
Area of Science:
- Materials Science
- Chemical Engineering
- Separation Science
Background:
- Porous organic polymers (COPs) are investigated for gas separation.
- Noble gas separation, particularly xenon/krypton (Xe/Kr), is crucial for various applications.
- Functionalization of COPs can tune their adsorption properties.
Purpose of the Study:
- To design and synthesize a bromine-functionalized benzimidazole-linked COP for Xe/Kr separation.
- To compare the performance of the brominated COP with its nonbrominated analogue.
- To elucidate the mechanism behind enhanced Xe/Kr separation.
Main Methods:
- Synthesis of bromine-functionalized and non-functionalized COPs.
- Gas adsorption measurements (e.g., Xe, Kr).
- Isosteric heat of adsorption analysis.
- 129Xe nuclear magnetic resonance (NMR) spectroscopy.
- Computational modeling.
Main Results:
- Bromine functionalization significantly enhanced Xe uptake and Xe/Kr selectivity.
- 129Xe NMR revealed a bimodal pore environment and heterogeneous binding sites in the brominated COP.
- Computational modeling indicated synergistic effects of confinement and bromine interactions.
- A polarity-induced specific interaction mechanism was identified for Xe/Kr separation.
Conclusions:
- Halogen functionalization is an effective strategy for tuning noble gas adsorption in COPs.
- Bromine functionalization provides a distinct separation mechanism based on polarity, surpassing conventional size-shape exclusion.
- The developed brominated COP shows promise for efficient Xe/Kr separation.
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