New insights into carbon dioxide interactions with benzimidazole-linked polymers

Abstract

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⋯CO₂) and aryl C–H⋯OCO interactions.