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Persistent URL	http://purl.org/net/epubs/work/62368
Record Status	Checked
Record Id	62368
Title	Hydrogen adsorption in the metal-organic frameworks Fe-2(dobdc) and Fe-2(O-2)(dobdc)
Contributors	WL Queen (National Institute of Standards and Technology), ED Bloch (California U., Berkeley), CM Brown (National Institute of Standards and Technology), MR Hudson (National Institute of Standards and Technology), JA Mason (California U., Berkeley), LJ Murray (California U., Berkeley), AJ Ramirez-Cuesta (STFC Rutherford Appleton Lab.), VK Peterson (The Bragg Institute), JR Long (California U., Berkeley)
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 D2–p-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.
Organisation	ISIS , ISIS-TOSCA , STFC
Keywords	Materials , Physics , Chemistry
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Language	English (EN)

Type	Details	URI(s)	Local file(s)	Year
Journal Article	Dalton Trans 41, no. 14 (2012): 4180-4187.	doi:10.1039/c2dt12138g		2012