Neutron diffraction structural study of CO2 binding in mixed-metal CPM-200 metal-organic frameworks.


Department of Chemistry & Biochemistry, University of Delaware, Newark, DE 19716, USA. [Email]


Metal-organic frameworks featuring open metal coordination sites have been widely studied for the separation of gas mixtures. For CO2/N2 separations, these materials have shown considerable promise. Herein, we report the characterization of a subset of the well-known PCN-250 class of frameworks upon CO2 adsorption via powder neutron diffraction methods. Noteably, in contrast to previously reported data, they display only moderate CO2 adsorption enthalpies, based on metal cation-CO2 interactions. Further, we show charge balance in these materials is likely achieved via ligand vacancies rather than the presence of μ3-OH groups in the trimetallic cluster that comprises them.

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