Mechanism of Carbon Dioxide Adsorption in a Highly Selective Coordination Network Supported by Direct Structural Evidence

Abstract

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). As a service to our authors and readers, this journal provides supporting information supplied by the authors. Such materials are peer reviewed and may be re-organized for online delivery, but are not copy-edited or typeset. Technical support issues arising from supporting information (other than missing files) should be addressed to the authors. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.