Phosphonate Monoesters as Carboxylate-like Linkers for Metal Organic Frameworks.

05:28 EDT 16th September 2014 | BioPortfolio

Summary of "Phosphonate Monoesters as Carboxylate-like Linkers for Metal Organic Frameworks."

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.


Department of Chemistry, University of Calgary , Calgary T2N 1N4, Canada.

Journal Details

This article was published in the following journal.

Name: Journal of the American Chemical Society
ISSN: 1520-5126
Pages: 20048-51


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