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Issue 14, 2012
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Hydrogen adsorption in the metal–organic frameworks Fe2(dobdc) and Fe2(O2)(dobdc)

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Abstract

The hydrogen storage properties of Fe2(dobdc) (dobdc4− = 2,5-dioxido-1,4-benzenedicarboxylate) and an oxidized analog, Fe2(O2)(dobdc), have been examined using several complementary techniques, including low-pressure gas adsorption, neutron powder diffraction, and inelastic neutron scattering. These two metal–organic frameworks, which possess one-dimensional hexagonal channels decorated with unsaturated iron coordination sites, exhibit high initial isosteric heats of adsorption of −9.7(1) and −10.0(1) kJ mol−1, respectively. Neutron powder diffraction has allowed the identification of three D2 binding sites within the two frameworks, with the closest contacts corresponding to Fe–D2 separations of 2.47(3) and 2.53(5) Å, respectively. Inelastic neutron scattering spectra, obtained from p-H2 (para-H2) and D2p-H2 mixtures adsorbed in Fe2(dobdc), reveal weak interactions between two neighboring adsorption sites, a finding that is in opposition to a previous report of possible ‘pairing’ between neighboring H2 molecules.

Graphical abstract: Hydrogen adsorption in the metal–organic frameworks Fe2(dobdc) and Fe2(O2)(dobdc)

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Publication details

The article was received on 08 Nov 2011, accepted on 11 Jan 2012 and first published on 28 Feb 2012


Article type: Paper
DOI: 10.1039/C2DT12138G
Dalton Trans., 2012,41, 4180-4187

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    Hydrogen adsorption in the metal–organic frameworks Fe2(dobdc) and Fe2(O2)(dobdc)

    W. L. Queen, E. D. Bloch, C. M. Brown, M. R. Hudson, J. A. Mason, L. J. Murray, A. J. Ramirez-Cuesta, V. K. Peterson and J. R. Long, Dalton Trans., 2012, 41, 4180
    DOI: 10.1039/C2DT12138G

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