Excellent Removal Performance of 4,4'-Biphenyldicarboxaldehyde M-Phenylenediamine Schiff Base Magnetic Polymer Towards Phenanthrene and 9-Phenanthrol: Experimental, Modeling and Dft Calculations Studies
52 Pages Posted: 27 Jun 2022
Phenanthrene (PTH) and 9-Phenanthrol (9-PTH) exhibited severe health threats and ecological hazards, for this reason, exploring high-efficient removing strategy for PTH and 9-PTH could be considered of great urgency. Herein the 4,4'-Biphenyldicarboxaldehyde m-Phenylenediamine Schiff base magnetic polymer (magnetic BIPH-PHEN) was successfully fabricated via Schiff base polycondensation reaction and the subsequently one-pot embedded method. The mutual aromatic nucleus of BIPH-PHEN polymer and PTH/9-PTH could form π–π interaction, thus improved the capture ability, the embedded Fe3O4 nanoparticles provided the possibility for rapid separation. The physical and chemical properties of the magnetic BIPH-PHEN were systematically characterized. The magnetic BIPH-PHEN could efficiently remove PTH and 9-PTH, especially towards 9-PTH. The DFT calculations including energy calculations and electrostatic potential distribution analyzed the different bonding modes and proposed the most possible bonding modes in adsorbent/adsorbate system. Moreover, the LUMO and HOMO orbits combined with energy gaps analysis proved the existence and specific types of the π–π interaction. The monolayer adsorption occurred on the homogeneous magnetic BIPH-PHEN surface, simultaneously the chemisorption was dominantly. This work not only proposed new sights on assembling magnetic Schiff base polymer for removing polycyclic aromatic hydrocarbons, but also provided a deeper understanding for intramolecular interactions.
Keywords: Adsorption, Polymer assembly, mechanism, Theoretical analysis.
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