Phosphonate monoesters as carboxylate-like linkers for metal organic frameworks |
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Authors: | Iremonger Simon S Liang Junmei Vaidhyanathan Ramanathan Martens Isaac Shimizu George K H Daff Thomas D Aghaji Mohammad Zein Yeganegi Saeid Woo Tom K |
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Affiliation: | Department of Chemistry, University of Calgary, Calgary T2N 1N4, Canada. |
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Abstract: | Bidentate phosphonate monoesters are analogues of popular dicarboxylate linkers in MOFs, but with an alkoxy tether close to the coordinating site. Herein, we report 3-D MOF materials based upon phosphonate monoester linkers. Cu(1,4-benzenediphosphonate bis(monoalkyl ester), CuBDPR, with an ethyl tether is nonporous; however, the methyl tether generates an isomorphous framework that is porous and captures CO(2) with a high isosteric heat of adsorption of 45 kJ mol(-1). Computational modeling reveals that the CO(2) uptake is extremely sensitive both to the flexing of the structure and to the orientation of the alkyl tether. |
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