Highly defective copper-based metal-organic frameworks for the efficient adsorption and detection of organophosphorus pesticides: An experimental and computational investigation

Organophosphorus pesticide (OP) residues pose a serious threat to human health, motivating the search for novel adsorbents and detection methods. Herein, defective copper-based metal organic frameworks (Cu-MOFs) were synthesized by the reaction of Cu2+ ions and 1,3,5-benzenetricarboxylate linkers in the presence of acetic acid. As the amount of acetic acid increased, the crystallization kinetics and morphology of the Cu-MOFs changed, leading to mesoporous Cu-MOFs with many large surface pores (defects). Adsorption studies of OPs revealed the defective Cu-MOFs showed faster pesticide adsorption kinetics and higher pesticide adsorption capacities. Density functional theory calculations showed that pesticide adsorption in the Cu-MOFs was mainly electrostatic. A dispersive solid phase extraction method was developed based on a defective Cu-MOF-6 for rapidly extracting pesticides from food samples. The method allowed pesticide detection over a wide linear concentration range, low limits of detection (0.0067-0.0164 mu g L-1) and good recoveries in pesticide-spiked samples (81.03-109.55%).