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Updated: May 19, 2026

Synthesis and Characterization of Functionalized Metal-organic Frameworks
Published on: September 5, 2014
CO2 dynamics in a metal-organic framework with open metal sites
Xueqian Kong1, Eric Scott, Wen Ding
1Department of Chemical and Biomolecular Engineering, University of California Berkeley, Berkeley, California 94720, USA. xkong@lbl.gov
Abstract:
Metal-organic frameworks (MOFs) with open metal sites are promising candidates for CO(2) capture from dry flue gas. We applied in situ(13)C NMR spectroscopy to investigate CO(2) adsorbed in Mg(2)(dobdc) (H(4)dobdc = 2,5-dihydroxyterephthalic acid; Mg-MOF-74, CPO-27-Mg), a key MOF in which exposed Mg(2+) cation sites give rise to exceptional CO(2) capture properties. Analysis of the resulting spectra reveals details of the binding and CO(2) rotational motion within the material. The dynamics of the motional processes are evaluated via analysis of the NMR line shapes and relaxation times observed between 12 and 400 K. These results form stringent and quantifiable metrics for computer simulations that seek to screen and improve the design of new MOFs for CO(2) capture.
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