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Issue 48, 2016
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Grasping hydrogen adsorption and dynamics in metal–organic frameworks using 2H solid-state NMR

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Abstract

Record greenhouse gas emissions have spurred the search for clean energy sources such as hydrogen (H2) fuel cells. Metal–organic frameworks (MOFs) are promising H2 adsorption and storage media, but knowledge of H2 dynamics and adsorption strengths in these materials is lacking. Variable-temperature (VT) 2H solid-state NMR (SSNMR) experiments targeting 2H2 gas (i.e., D2) shed light on D2 adsorption and dynamics within six representative MOFs: UiO-66, M-MOF-74 (M = Zn, Mg, Ni), and α-M3(COOH)6 (M = Mg, Zn). D2 binding is relatively strong in Mg-MOF-74, Ni-MOF-74, α-Mg3(COOH)6, and α-Zn3(COOH)6, giving rise to broad 2H SSNMR powder patterns. In contrast, D2 adsorption is weaker in UiO-66 and Zn-MOF-74, as evidenced by the narrow 2H resonances that correspond to rapid reorientation of the D2 molecules. Employing 2H SSNMR experiments in this fashion holds great promise for the correlation of MOF structural features and functional groups/metal centers to H2 dynamics and host–guest interactions.

Graphical abstract: Grasping hydrogen adsorption and dynamics in metal–organic frameworks using 2H solid-state NMR

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Publication details

The article was received on 16 Apr 2016, accepted on 04 May 2016 and first published on 04 May 2016


Article type: Communication
DOI: 10.1039/C6CC03205B
Citation: Chem. Commun., 2016,52, 7541-7544
  • Open access: Creative Commons BY-NC license
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    Grasping hydrogen adsorption and dynamics in metal–organic frameworks using 2H solid-state NMR

    B. E. G. Lucier, Y. Zhang, K. J. Lee, Y. Lu and Y. Huang, Chem. Commun., 2016, 52, 7541
    DOI: 10.1039/C6CC03205B

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