Perfluorooctanoic acid (PFOA) is an environmental contaminant ubiquitous in water resources, which as a xenobiotic and carcinogenic agent, severely endangers human health. The development of techniques for its efficient removal is therefore highly sought after. Herein, we demonstrate an unprecedented zirconium-based MOF (PCN-999) possessing Zr₆ and biformate-bridged (Zr₆)₂ clusters simultaneously, which exhibits an exceptional PFOA uptake of 1089 mg/g (2.63 mmol/g), representing a ca. 50% increase over the previous record for MOFs. Single-crystal X-ray diffraction studies and computational analysis revealed that the (Zr₆)₂ clusters offer additional open coordination sites for hosting PFOA. The coordinated PFOAs further enhance the interaction between coordinated and free PFOAs for physical adsorption, boosting the adsorption capacity to an unparalleled high standard. Our findings represent a major step forward in the fundamental understanding of the MOF-based PFOA removal mechanism, paving the way toward the rational design of next-generation adsorbents for per- and polyfluoroalkyl substance (PFAS) removal.

中文翻译：

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锆基金属有机框架通过协同化学和物理吸附在水中吸收极高的全氟辛酸

全氟辛酸（PFOA）是水资源中普遍存在的环境污染物，作为异生物质和致癌剂，严重危害人类健康。因此，开发有效去除其的技术受到高度追捧。在此，我们展示了一种前所未有的锆基 MOF (PCN-999)，同时具有 Zr ₆和二甲酸桥联 (Zr ₆ ) ₂簇，其表现出 1089 mg/g (2.63 mmol/g) 的出色 PFOA 吸收量，代表了约比之前的 MOF 记录增加了 50%。单晶 X 射线衍射研究和计算分析表明 (Zr ₆ ) ₂团簇为容纳 PFOA 提供了额外的开放配位位点。配位PFOA进一步增强了配位PFOA与游离PFOA之间的物理吸附相互作用，将吸附能力提升至无与伦比的高标准。我们的研究结果代表了对基于 MOF 的 PFOA 去除机制的基本理解迈出了重要一步，为合理设计下一代全氟烷基物质和多氟烷基物质 (PFAS) 去除吸附剂铺平了道路。