Effective strategies toward imine-linked cationic covalent organic frameworks for rapid and selective removal of <sup>99</sup>TcO<sub>4</sub><sup>−</sup> from water: insights from DFT and MD calculations
Chaofeng Zhao, Xinjie Ma, Xin Wei, Weiwei Liu, Lu Sun, Yuejie Ai
Abstract
The dynamic behavior and anion exchange mechanism of 99 TcO 4 − on imine-linked cationic COFs are elucidated to provide theoretical basis for developing novel cationic COFs materials for environmental remediation.
Topics & Concepts
Cationic polymerizationImineCovalent bondChemistryIon exchangeDynamic covalent chemistryIonOrganic chemistryCombinatorial chemistryComputational chemistryCatalysisMoleculeSupramolecular chemistryCovalent Organic Framework ApplicationsMetal-Organic Frameworks: Synthesis and ApplicationsRadioactive element chemistry and processing