Metal-organic frameworks (MOFs) have emerged as versatile adsorbents for molecular separation processes owing to their well-defined, porous structures and tunable chemical functionality that enable guest-selective interactions. They have attracted considerable interest for CO2 capture applications, particularly under flue gas conditions where CO2 makes up 5-15 % of emissions. However, MOFs capable of selective CO2 capture at trace concentrations (&lt; 5000 ppm) remain rare. This presentation will describe our recent efforts to design MOFs containing nucleophilic transition metal hydroxide functional groups as solid adsorbents for trace CO2 capture applications such as atmosphere revitalization in NASA spacecraft. A mild and convenient postsynthetic modification protocol has been developed to generate biomimetic Zn–OH species at the inorganic building units of a benzotriazolate-based MOF. The resulting material shows excellent performance for trace CO2 capture, and IR spectroscopic data and density functional theory calculations reveal a CO2/HCO3– chemisorption mechanism that is aided by cooperative hydrogen bonding interactions.

Designing metal-organic frameworks for trace CO2 capture

2019 Spring National Meeting

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