calix(4)arene and triphenylmethane

Porous organic polymers (POPs) based on calix[4]arene with a hydrophobic π-rich cavity and host-guest recognition properties exhibit a wide application range of molecular extraction and separation. However, it is still a challenge to improve the extraction and separation selectivity by exploring and seeking appropriate building blocks for the functionalization and pore size adjustment of calix[4]arene. Herein, an azophenyl calix[4]arene porous organic polymer (AC-POP) was proposed. By introducing an electron-rich cavity and adjusting the pore sizes of calix[4]arene, the AC-POP showed high selectivity extraction performance in triphenylmethane (TPM) dyes. The extraction mechanism was explored by adsorption thermodynamics study, density functional theory (DFT) calculation, and reduced density gradient (RDG) and electrostatic potential (ESP) analyses, which suggested that the selectivity adsorption of TPM dyes based on AC-POP was mainly the result of entropy driven by the hydrophobic effect. In addition, the noncovalent interactions including π-π stacking, van der Waals force, and electrostatic interaction were also important factors affecting the adsorption capacity of TPM dyes. Under optimal extraction conditions, the AC-POP possessed a maximum extraction amount of 95.3 mg·g

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