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).