Hydrogen adsorption in the metal-organic frameworks Fe 2(dobdc) and Fe 2(O 2)(dobdc)

Wendy L. Queen; Eric D. Bloch; Craig M. Brown; Matthew R. Hudson; Jarad A. Mason; Leslie J. Murray; Anibal Javier Ramirez-Cuesta; Vanessa K. Peterson; Jeffrey R. Long

doi:10.1039/c2dt12138g

Hydrogen adsorption in the metal-organic frameworks Fe ₂(dobdc) and Fe ₂(O ₂)(dobdc)

Wendy L. Queen, Eric D. Bloch, Craig M. Brown, Matthew R. Hudson, Jarad A. Mason, Leslie J. Murray, Anibal Javier Ramirez-Cuesta, Vanessa K. Peterson, Jeffrey R. Long

Research output: Contribution to journal › Article › peer-review

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Abstract

The hydrogen storage properties of Fe ₂(dobdc) (dobdc ^4- = 2,5-dioxido-1,4-benzenedicarboxylate) and an oxidized analog, Fe ₂(O ₂)(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 D ₂ binding sites within the two frameworks, with the closest contacts corresponding to Fe-D ₂ separations of 2.47(3) and 2.53(5) Å, respectively. Inelastic neutron scattering spectra, obtained from p-H ₂ (para-H ₂) and D ₂-p-H ₂ mixtures adsorbed in Fe ₂(dobdc), reveal weak interactions between two neighboring adsorption sites, a finding that is in opposition to a previous report of possible 'pairing' between neighboring H ₂ molecules.

Original language	English
Pages (from-to)	4180-4187
Number of pages	8
Journal	Dalton Transactions
Volume	41
Issue number	14
DOIs	https://doi.org/10.1039/c2dt12138g
State	Published - Apr 14 2012
Externally published	Yes

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@article{aaf53dce42bd489fbfdacaf5bdaa229a,

title = "Hydrogen adsorption in the metal-organic frameworks Fe 2(dobdc) and Fe 2(O 2)(dobdc)",

abstract = "The hydrogen storage properties of Fe 2(dobdc) (dobdc 4- = 2,5-dioxido-1,4-benzenedicarboxylate) and an oxidized analog, Fe 2(O 2)(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 D 2 binding sites within the two frameworks, with the closest contacts corresponding to Fe-D 2 separations of 2.47(3) and 2.53(5) {\AA}, respectively. Inelastic neutron scattering spectra, obtained from p-H 2 (para-H 2) and D 2-p-H 2 mixtures adsorbed in Fe 2(dobdc), reveal weak interactions between two neighboring adsorption sites, a finding that is in opposition to a previous report of possible 'pairing' between neighboring H 2 molecules.",

author = "Queen, {Wendy L.} and Bloch, {Eric D.} and Brown, {Craig M.} and Hudson, {Matthew R.} and Mason, {Jarad A.} and Murray, {Leslie J.} and Ramirez-Cuesta, {Anibal Javier} and Peterson, {Vanessa K.} and Long, {Jeffrey R.}",

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doi = "10.1039/c2dt12138g",

language = "English",

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journal = "Dalton Transactions",

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T1 - Hydrogen adsorption in the metal-organic frameworks Fe 2(dobdc) and Fe 2(O 2)(dobdc)

AU - Queen, Wendy L.

AU - Bloch, Eric D.

AU - Brown, Craig M.

AU - Hudson, Matthew R.

AU - Mason, Jarad A.

AU - Murray, Leslie J.

AU - Ramirez-Cuesta, Anibal Javier

AU - Peterson, Vanessa K.

AU - Long, Jeffrey R.

PY - 2012/4/14

Y1 - 2012/4/14

N2 - The hydrogen storage properties of Fe 2(dobdc) (dobdc 4- = 2,5-dioxido-1,4-benzenedicarboxylate) and an oxidized analog, Fe 2(O 2)(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 D 2 binding sites within the two frameworks, with the closest contacts corresponding to Fe-D 2 separations of 2.47(3) and 2.53(5) Å, respectively. Inelastic neutron scattering spectra, obtained from p-H 2 (para-H 2) and D 2-p-H 2 mixtures adsorbed in Fe 2(dobdc), reveal weak interactions between two neighboring adsorption sites, a finding that is in opposition to a previous report of possible 'pairing' between neighboring H 2 molecules.

AB - The hydrogen storage properties of Fe 2(dobdc) (dobdc 4- = 2,5-dioxido-1,4-benzenedicarboxylate) and an oxidized analog, Fe 2(O 2)(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 D 2 binding sites within the two frameworks, with the closest contacts corresponding to Fe-D 2 separations of 2.47(3) and 2.53(5) Å, respectively. Inelastic neutron scattering spectra, obtained from p-H 2 (para-H 2) and D 2-p-H 2 mixtures adsorbed in Fe 2(dobdc), reveal weak interactions between two neighboring adsorption sites, a finding that is in opposition to a previous report of possible 'pairing' between neighboring H 2 molecules.

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U2 - 10.1039/c2dt12138g

DO - 10.1039/c2dt12138g

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VL - 41

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JO - Dalton Transactions

JF - Dalton Transactions

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Hydrogen adsorption in the metal-organic frameworks Fe ₂(dobdc) and Fe ₂(O ₂)(dobdc)

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