Constructing halogen-functionalization magnetic covalent organic frameworks for enhancing the endocrine disruptors
Haijuan Jiang1, Han Tao1, Shaoxiang Yang1
1Beijing Key laboratory of Flavor Chemistry, Beijing Technology and Business University, Beijing 100048, PR China.
Abstract:
Halogen atom enriched magnetic covalent organic frameworks (COF) are reasonably designed to enhance the adsorption capacity of endocrine disruptors (EDCs) in the environment and food samples. A series of halogen functionalized magnetic COF adsorbents were prepared. It is worth noting that the introduction of the Br atom significantly increased the adsorption capacity for EDCs (380 mg g-1). In addition, density functional theory (DFT) was used to study the adsorption behavior and mechanism of tetrabromobisphenol A by Fe3O4@COF@R. Geometric configuration and electronic property analysis indicated that Fe3O4@COF@R tightly binds pollutants together, Fe3O4@COF@Br has the highest adsorption energy, which is -158.3 kcal mol-1. The theoretical calculation values are consistent with the experimental results. Finally, Fe3O4@COF@Br has good practicality in removing EDCs from city water, lake water, milk, and vinegar samples, with recovery rates of 83.7-100.9 %, and RSDs less than 6.3.
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