Hydrogen storage in a microporous metal-organic framework with exposed Mn2+ coordination sites

Mircea Dinča; Anne Dailly; Yun Liu; Craig M. Brown; Dan A. Neumann; Jeffrey R. Long

doi:10.1021/ja0656853

Hydrogen storage in a microporous metal-organic framework with exposed Mn²⁺ coordination sites

Mircea Dinča, Anne Dailly, Yun Liu, Craig M. Brown, Dan A. Neumann, Jeffrey R. Long

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

1117 Scopus citations

Abstract

Use of the tritopic bridging ligand 1,3,5-benzenetristetrazolate (BTT ^3-) enables formation of [Mn-(DMF)₆]₃[(Mn ₄Cl)₃(BTT)₈(H₂O)₁₂] ₂·42DMF·11H₂O·20CH₃OH, featuring a porous metal-organic framework with a previously unknown cubic topology. Crystals of the compound remain intact upon desolvation and show a total H2 uptake of 6.9 wt % at 77 K and 90 bar, which at 60 g H₂/L provides a storage density 85% of that of liquid hydrogen. The material exhibits a maximum isosteric heat of adsorption of 10.1 kJ/mol, the highest yet observed for a metal-organic framework. Neutron powder diffraction data demonstrate that this is directly related to H₂ binding at coordinatively unsaturated Mn²⁺ centers within the framework.

Original language	English (US)
Pages (from-to)	16876-16883
Number of pages	8
Journal	Journal of the American Chemical Society
Volume	128
Issue number	51
DOIs	https://doi.org/10.1021/ja0656853
State	Published - Dec 27 2006
Externally published	Yes

All Science Journal Classification (ASJC) codes

Catalysis
General Chemistry
Biochemistry
Colloid and Surface Chemistry

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10.1021/ja0656853

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title = "Hydrogen storage in a microporous metal-organic framework with exposed Mn2+ coordination sites",

abstract = "Use of the tritopic bridging ligand 1,3,5-benzenetristetrazolate (BTT 3-) enables formation of [Mn-(DMF)6]3[(Mn 4Cl)3(BTT)8(H2O)12] 2·42DMF·11H2O·20CH3OH, featuring a porous metal-organic framework with a previously unknown cubic topology. Crystals of the compound remain intact upon desolvation and show a total H2 uptake of 6.9 wt \% at 77 K and 90 bar, which at 60 g H2/L provides a storage density 85\% of that of liquid hydrogen. The material exhibits a maximum isosteric heat of adsorption of 10.1 kJ/mol, the highest yet observed for a metal-organic framework. Neutron powder diffraction data demonstrate that this is directly related to H2 binding at coordinatively unsaturated Mn2+ centers within the framework.",

author = "Mircea Din{\v c}a and Anne Dailly and Yun Liu and Brown, \{Craig M.\} and Neumann, \{Dan A.\} and Long, \{Jeffrey R.\}",

year = "2006",

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doi = "10.1021/ja0656853",

language = "English (US)",

volume = "128",

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T1 - Hydrogen storage in a microporous metal-organic framework with exposed Mn2+ coordination sites

AU - Dinča, Mircea

AU - Dailly, Anne

AU - Liu, Yun

AU - Brown, Craig M.

AU - Neumann, Dan A.

AU - Long, Jeffrey R.

PY - 2006/12/27

Y1 - 2006/12/27

N2 - Use of the tritopic bridging ligand 1,3,5-benzenetristetrazolate (BTT 3-) enables formation of [Mn-(DMF)6]3[(Mn 4Cl)3(BTT)8(H2O)12] 2·42DMF·11H2O·20CH3OH, featuring a porous metal-organic framework with a previously unknown cubic topology. Crystals of the compound remain intact upon desolvation and show a total H2 uptake of 6.9 wt % at 77 K and 90 bar, which at 60 g H2/L provides a storage density 85% of that of liquid hydrogen. The material exhibits a maximum isosteric heat of adsorption of 10.1 kJ/mol, the highest yet observed for a metal-organic framework. Neutron powder diffraction data demonstrate that this is directly related to H2 binding at coordinatively unsaturated Mn2+ centers within the framework.

AB - Use of the tritopic bridging ligand 1,3,5-benzenetristetrazolate (BTT 3-) enables formation of [Mn-(DMF)6]3[(Mn 4Cl)3(BTT)8(H2O)12] 2·42DMF·11H2O·20CH3OH, featuring a porous metal-organic framework with a previously unknown cubic topology. Crystals of the compound remain intact upon desolvation and show a total H2 uptake of 6.9 wt % at 77 K and 90 bar, which at 60 g H2/L provides a storage density 85% of that of liquid hydrogen. The material exhibits a maximum isosteric heat of adsorption of 10.1 kJ/mol, the highest yet observed for a metal-organic framework. Neutron powder diffraction data demonstrate that this is directly related to H2 binding at coordinatively unsaturated Mn2+ centers within the framework.

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IS - 51

ER -

Hydrogen storage in a microporous metal-organic framework with exposed Mn²⁺ coordination sites

Abstract

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