A cage-covalent organic framework (COF)-TP {T = bis(tetraoxacalix[2]arene[2]triazine); P = piperazine}, a novel two-dimensional covalent organic skeleton substituted with a nucleophilic cyanuric chloride analogue, was synthesized by a simple polymerization process. Cage-COF-TP is advantageous owing to its good structural order, permanent porosity, and low preparation cost. This skeleton was employed as a cost-effective adsorbent for the intermittent adsorption of an organic dye from aqueous solutions. Adsorption experiments were carried out at different initial dye concentrations, contact times, and solution pH. The adsorption kinetics followed the pseudo-second order model, and the results of thermodynamic studies were consistent with the Langmuir isotherm model. The high degree of matching between the size and shape of malachite green (MG) and the shrunken channels present in Cage-COF-TP were responsible for the enhanced adsorption ability of this material. Furthermore, theoretical calculations indicated that the high adsorption of the studied adsorbent can be attributed to the presence of nitrogen-rich triazine units in the Cage-COF-TP, which are expected to strengthen its affinity to guest molecules. The obtained results showed that the developed adsorbent is an efficient adsorbent that is theoretically capable of stimulating the removal of ∼2000 mg/g MG from wastewater at ambient temperature. This study will therefore be expected to promote the development of new functional materials based on COFs.
Keywords: adsorbent; cage-covalent organic framework; high adsorption; malachite green; theoretical calculations.