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<p>The challenge of iodine capture in seawater is accentuated by the existence of competing species and material stability in the seawater environment. Here, we present a 3,3′-bipyridinium-based cyclophane with an inherently rigid cavity for the effective adsorption of iodine from artificial and natural seawater. This macrocycle demonstrates superior iodine adsorption capacity and reusability compared to 4,4′-bipyridinium-based cyclophane, with notably enhanced efficiencies in seawater relative to pure water. Remarkably, static adsorption in natural seawater achieved a record-high iodine uptake of 10.4 g g<sup>−1</sup>, while dynamic experiments revealed iodine removal efficiency exceeding 99%. Substantial density functional theory (DFT) calculations and controlled experiments revealed that halogen ions (X<sup>−</sup>) and ionic concentrations critically influence adsorption performance through the formation of different [I<sub>2<i>n</i></sub>X]<sup>−</sup> complexes, which modulate adsorption energies. X-ray crystallography of iodineloaded cyclophanes indicated that efficient iodine capture arises from multiple noncovalent interactions and the macrocycle’s loosely packed structure. This study highlights a promising strategy for designing efficient and practical iodine adsorbents for real-world applications.</p>

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Efficient iodine adsorption from seawater by simple macrocycle and mechanistic insights

  • 期刊论文

  • 发表日期：

    2025年6月24日

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  • Baoqi Wu,
  • Rongzhi Tang,
  • Yuan Liu,
  • Zhi-Wei Li,
  • Feng Lin,
  • Zongyu Sun,
  • Yuzhe Pi,
  • Gangfeng Ouyang,
  • Yu Tan

摘要

The challenge of iodine capture in seawater is accentuated by the existence of competing species and material stability in the seawater environment. Here, we present a 3,3′-bipyridinium-based cyclophane with an inherently rigid cavity for the effective adsorption of iodine from artificial and natural seawater. This macrocycle demonstrates superior iodine adsorption capacity and reusability compared to 4,4′-bipyridinium-based cyclophane, with notably enhanced efficiencies in seawater relative to pure water. Remarkably, static adsorption in natural seawater achieved a record-high iodine uptake of 10.4 g g−1, while dynamic experiments revealed iodine removal efficiency exceeding 99%. Substantial density functional theory (DFT) calculations and controlled experiments revealed that halogen ions (X−) and ionic concentrations critically influence adsorption performance through the formation of different [I2nX]− complexes, which modulate adsorption energies. X-ray crystallography of iodineloaded cyclophanes indicated that efficient iodine capture arises from multiple noncovalent interactions and the macrocycle’s loosely packed structure. This study highlights a promising strategy for designing efficient and practical iodine adsorbents for real-world applications.