High atmospheric CO2 levels, resulting largely from combustion of fossil fuels, and its undesirable impact on global climate has sparked considerable interest in cleaner energy sources. While energy transitions are historically slow, technological solutions for mitigation of current CO2 emissions is becoming more evident. It is projected that use of physical adsorbents with low-energy regeneration requirements, like metal-organic frameworks, could reduce parasitic loss associated with current capture technologies. Metal organic frameworks (MOFs) are crystalline materials that contain metal-ions or metal-ion clusters as nodes and organic ligands as linkers to form 1-, 2-, and 3-D structures. These materials are being intensely investigated because they readily undergo chemical modification for tuning framework properties, exhibit record-breaking internal surface areas, and have demonstrated selectivity and reversibility in the adsorption of small guest molecules. Gas adsorption measurements have been carried out in tandem with in-situ diffraction studies, unveiling molecular level detail of CO2 adsorption within several extensive families of MOFs. Results are compared with DFT calculations used to predict the CO2 adsorbed structures as well as the isosteric heats of CO2 adsorption. The experimental results show good agreement with theory in all cases.

Unveiling molecular level detail of CO<sub>2</sub> adsorption in several extensive families of metal-organic frameworks

248th National Meeting (2014)

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.

Unveiling molecular level detail of CO2 adsorption in several extensive families of metal-organic frameworks

Unveiling molecular level detail of CO₂ adsorption in several extensive families of metal-organic frameworks