To explore the impact of different functional groups on Hg(II) adsorption, a range of poly(pyrrole methane)s functionalized by –Cl, –CN, –NH, –OH and –COOH were synthesized and applied to reveal the interaction between different functional groups and mercury ions in water, and the adsorption mechanism was revealed through combined FT-IR, XPS, and DFT calculations. The adsorption performance can be improved to varying degrees by the incorporation of functional groups. Among them, the oxygen-containing functional groups (–OH and –COOH) exhibit stronger affinity for Hg(II) and can increase the adsorption capacity from 180 mg g to more than 1400 mg g at 318 K, with distribution coefficient () exceeding 10 mL g. The variations in the capture and immobilization capabilities of functionalized poly(pyrrole methane)s predominantly stem from the unique interactions between their functional groups and mercury ions. In particular, oxygen-containing –OH and –COOH effectively capture Hg(OH) through hydrogen bonding, and further deprotonate to form the –O–Hg–OH and –COO–Hg–OH complexes which are more stable than those obtained from other functionalized groups. Finally, the ecological safety has been fully demonstrated through bactericidal and bacteriostatic experiments to prove the functionalized poly(pyrrole methane)s can be as an environmentally friendly adsorbent for purifying contaminated water.

中文翻译：

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揭示功能化聚吡咯甲烷中 Hg(II) 与基团类型（–Cl、–CN、–NH2、–OH、–COOH）之间的相互作用形式，以实现高效除汞


为了探索不同官能团对 Hg(II) 吸附的影响，合成了一系列由 -Cl、-CN、-NH、-OH 和 -COOH 官能化的聚（吡咯甲烷），并用于揭示不同官能团之间的相互作用。水中的官能团和汞离子，并通过结合 FT-IR、XPS 和 DFT 计算揭示了吸附机理。通过官能团的掺入可以不同程度地提高吸附性能。其中，含氧官能团（-OH和-COOH）对Hg(II)表现出更强的亲和力，在318 K时可以将吸附容量从180 mg g提高到1400 mg g以上，分配系数（）超过10 毫升克。官能化聚吡咯甲烷的捕获和固定能力的变化主要源于其官能团与汞离子之间的独特相互作用。特别是，含氧的-OH和-COOH通过氢键有效捕获Hg(OH)，并进一步去质子化形成-O-Hg-OH和-COO-Hg-OH配合物，比其他方法获得的配合物更稳定。功能化基团。最后，通过杀菌和抑菌实验充分证明了其生态安全性，证明功能化聚吡咯甲烷可以作为一种环保型吸附剂用于净化污水。