New insights into carbon dioxide interactions with benzimidazole-linked polymers

A synergistic experimental and theoretical study (DFT) highlights the impact of material design at the molecular and electronic levels on the binding affinity and interaction sites of CO2 with benzimidazole-linked polymers (BILPs); CO2 is stabilized by benzimidazole units through Lewis acid-base (N center dot center dot center dot CO2) and aryl C-H center dot center dot center dot O=C=O interactions.