Simultaneous Trapping of C H and C H from a Ternary Mixture of C H /C H /C H in a Robust Metal-Organic Framework for the Purification of C H.

The removal of C H and C H from C H streams is of great significance for feedstock purification to produce polyethylene and other commodity chemicals but the simultaneous adsorption of C H and C H over C H from a ternary mixture has never been realized. Herein, a robust metal-organic framework, TJT-100, was designed and synthesized, which demonstrates remarkably selective adsorption of C H and C H over C H . Breakthrough experiments show that TJT-100 can be used as an adsorbent for high-performance purification of C H from a ternary mixture of C H /C H /C H (0.5:99:0.5) to afford a C H purity greater than 99.997 %, beyond that required for ethylene polymerization. Computational studies reveal that the uncoordinated carboxylate oxygen atoms and coordinated water molecules pointing towards the pore can trap C H and C H through the formation of multiple C-H⋅⋅⋅O electrostatic interactions, while the corresponding C H -framework interaction is unfavorable.