Carbon dioxide capture and conversion has received significant attention in over the last several decades. Inspired by published work showing that CO2 binds to molybdate in acetonitrile (Chem. Sci. 2014, 5, 1772), we sought to explore the binding of carbon dioxide by a a variety of oxoanions. First, a computational study was undertaken, examining the thermodynamics and structures of carbon dioxide binding to a variety of anions in acetonitirle. It was found that other oxyoanions besides molybdate should be able to bind to CO2. We next undertook an experimental study in order to attempt to observe some of carbon dioxide adducts. NMR and IR spectroscopies were used to attempt to observe the carbon dioxide bound species. These results will be valuable for carbon dioxide capture and conversion technologies.

Computational and experimental studies of CO2 binding to oxoanions

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ACS Fall 2022

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