Trifluoromethyl-functionalized zirconium-based metal-organic cage (ZrT-(CF3)2): An efficient adsorbent for salicylic acid removal

Herein, a novel CF 3 -functionalized zirconium-based metal-organic tetrahedron (ZrT-(CF 3 ) 2 ) was constructed based on 2.5-bis(trifluoromethyl)terephthalic acid (H 2 BDC-(CF 3 ) 2 ) ligand and trinuclear zirconocene building unit. Notably, the single crystals of ZrT-(CF 3 ) 2 was obtained under traditional solvothermal condition, while the yield and purity could be further improved by the microwave-assisted solvothermal method. Subsequently, the adsorption performance of ZrT-(CF 3 ) 2 for salicylic acid (SA) emerging contaminant was systematically evaluated, indicating a maximum adsorption capacity of 99.91 mg/g under optimal conditions. Furthermore, a possible adsorption mechanism was proposed based on experimental results and DFT simulations.