Mechanism of carbon dioxide adsorption in a highly selective coordination network supported by direct structural evidence

Trapped in a porous material: The position of adsorbed CO₂ in a nanoporous coordination framework was determined using a combination of techniques including single-crystal X-ray diffraction, in situ X-ray powder diffraction coupled with differential scanning calorimetry, and theoretical calculations. The study reveals that the adsorbed CO₂ stays in a "pocket" between two phenyl rings, interacting with the aromatic electron density (see picture).