Royal Society of Chemistry, Chemical Communications, 27(50), p. 3571
DOI: 10.1039/c3cc45901b
Full text: Download
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 (NCO2) and aryl C-HO[double bond, length as m-dash]C[double bond, length as m-dash]O interactions.