Non-fluorinated Triazine-Functionalized Pentiptycene-Based Nanoporous Organic Polymer for Highly Efficient SF₆/N₂ Separation

Efficient separation of sulfur hexafluoride (SF 6 ) from SF 6 /N 2 mixtures is essential for both environmental protection and industrial applications. We report a non-fluorinated triazine-functionalized pentiptycene-based nanoporous organic polymer (TNOP-1) synthesized through a one-pot method of pentiptycene quinone with cyanuric chloride. TNOP-1 exhibits a high specific surface area of 822 m 2 ·g –1 and remarkable SF 6 /N 2 selectivities of 95.0 at 273 K and 84.7 at 298 K. Dynamic breakthrough experiments further confirm efficient SF 6 capture under ambient conditions. Furthermore, molecular dynamics simulations reveal dominant SF 6 adsorption sites where polar triazine and ketone functionalities enhance host–guest interactions via framework C–H bonds. These findings offer important molecular-level design principles for SF 6 capture in nanoporous organic polymers (NOPs) and are expected to advance next-generation materials for energy-efficient gas separation.