One-Step Ethylene Purification by an Ethane-Screening Metal-Organic Framework.

Efficient purification of ethylene (CH) from ethane (CH) is a crucial but daunting task for the chemical industry given their similar physical natures and molecular dimensions. Reversed capture of CH from CH/CH dual-mixtures can be expected to directly yield high-purity CH through a one-step separation unit, but it remains a daunting challenge. Here, we skillfully target an unusual "electrostatic-driven linker microrotation" () in a Zr-MOF through coupling dual-ligands having electron-withdrawing/donating groups (e.g., F and CH motifs). triggered microrotation of linker geometry and screening sites not only enhanced structural rigidity and hydrophobic nature, etc., but also effectively purified CH through reversely trapping CH. Under ambient conditions, 1 kg of activated adsorbents directly produces 7.2 L of CH with over 99.9%+ purity in a single breakthrough operation starting from the equimolar CH/CH cracked mixtures. Geometrical models and simulations have revealed that -derived H-bonding interaction and microrotation of linker geometry, synergistically customized CH-selective screening sites and pore inert for reversed CH capture and improved surface hydrophobicity. Adsorption isotherms, modeling simulations, and breakthrough tests based on pressure swing adsorption (PSA) conditions have jointly elucidated the underlying separation properties for CH purification. The enhanced hydrophobic nature, cycling durability, and separation property awarded a new benchmark adsorbent to purify the olefin/paraffin mixtures.