Selective Binding of O2 over N2 in a Redox-Active Metal-Organic Framework with Open Iron(II) Coordination Sites

[en] The air-free reaction of FeCl2 and H4dobdc (dobdc4- = 2,5-dioxido-1,4- benzenedicarboxylate) in a mixture of DMF and methanol affords Fe2(dobdc), a metal-organic framework isostructural to M2(dobdc) (M = Mg2+, Mn2+, Co2+, Ni2+, Zn2+). The desolvated form of this material has a BET surface area of 1360 m2/g and features 1-D hexagonal pores lined with coordinatively unsaturated Fe2+ cations. O2 adsorption isotherms indicate Fe2(dobdc) irreversibly binds oxygen at 298 K at a capacity over 0.10 mass fraction, corresponding to the adsorption of one O2 molecule per two framework Fe2+ cations. Remarkably, O2 uptake is reversible and the capacity increases two-fold to 0.19 mass fraction at 211 K. Powder neutron diffraction and IR spectroscopy indicate that in both scenarios O2 is coordinated side-on to the iron centers as superoxide at low temperatures and peroxide at room temperature, an observation that is confirmed by Mössbauer spectroscopy. Ideal adsorbed solution theory calculations reveal that Fe2(dobdc) is a promising material for the separation of O2 from air at temperatures well above those currently used in industrial settings.

Disciplines :

Chemistry

Author, co-author :

Bloch, Eric; Berkeley University of California - UC Berkeley > Chemistry

Murray, Leslie; Berkeley University of California - UC Berkeley > Chemistry

Queen, Wendy; NIST

Chavan, S

Maximoff, Sergei; Berkeley University of California - UC Berkeley > Chemistry

Bigi, J; Berkeley University of California - UC Berkeley > Chemistry

Krishna, R

Peterson, V

Grandjean, Fernande ; Université de Liège - ULiège > Département de physique > Département de physique

Long, Gary J; Missouri University of Science and Technology > Chemistry

More authors (4 more)

Language :

English

Title :

Selective Binding of O2 over N2 in a Redox-Active Metal-Organic Framework with Open Iron(II) Coordination Sites

Alternative titles :

[en] Liaison préférentielle de O2 sur N2 dans un réseau métal-organique actif en redox avec des sites ouverts de coordination de fer(II).

Publication date :

2011

Journal title :

Journal of the American Chemical Society

ISSN :

0002-7863

eISSN :

1520-5126

Publisher :

American Chemical Society, Washington, United States - District of Columbia

Volume :

133

Pages :

14814-14822

Peer reviewed :

Peer Reviewed verified by ORBi

Available on ORBi :

since 06 August 2012

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412

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