A series of amide-containing metal-organic frameworks (MOFs) were synthesized. In the open-ended channels of the compounds, the unsheltered amide groups exhibit a unique spatial arrangement. These unsheltered amide groups in the structures provide a positive cooperative effect on the adsorption of CO2 molecules. Importantly, the isosteric heat of CO2 adsorption (Qst) for one of the compounds is the highest physical sorption value reported to date for amide-containing functionalized MOFs. Results of DFT calculations revealed that the nano-chamber of the compounds permits the slipped-parallel arrangement of CO2 molecules, an arrangement found in crystal and gas phase CO2 dimer.

Cooperative effect of CO<sub>2</sub> adsorption in amide-containing metal-organic frameworks

248th National Meeting (2014)

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Cooperative effect of CO2 adsorption in amide-containing metal-organic frameworks

Cooperative effect of CO₂ adsorption in amide-containing metal-organic frameworks