Dynamic DMF Binding in MOF-5 Enables the Formation of Metastable Cobalt-Substituted MOF-5 Analogues
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Dinca_Dynamic DMF.pdf
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Author(s)
Bellarosa, Luca
López, Núria
Brozek, Carl Kavanaugh
Michaelis, Vladimir K.
Ong, Ta-Chung
Griffin, Robert Guy
Dinca, Mircea
Date Issued
July 2015
Journal
ACS Central Science
Publisher
American Chemical Society (ACS)
Citation
Brozek, Carl K., Vladimir K. Michaelis, Ta-Chung Ong, Luca Bellarosa, Núria López, Robert G. Griffin, and Mircea Dincă. “Dynamic DMF Binding in MOF-5 Enables the Formation of Metastable Cobalt-Substituted MOF-5 Analogues.” ACS Central Science 1, no. 5 (August 26, 2015): 252–260. © 2015 American Chemical Society.
Version
Final published version
Abstract
Multinuclear solid-state nuclear magnetic resonance, mass spectrometry, first-principles molecular dynamics simulations, and other complementary evidence reveal that the coordination environment around the Zn2+ ions in MOF-5, one of the most iconic materials among metal–organic frameworks (MOFs), is not rigid. The Zn2+ ions bind solvent molecules, thereby increasing their coordination number, and dynamically dissociate from the framework itself. On average, one ion in each cluster has at least one coordinated N,N-dimethylformamide (DMF) molecule, such that the formula of as-synthesized MOF-5 is defined as Zn4O(BDC)3(DMF)x (x = 1–2). Understanding the dynamic behavior of MOF-5 leads to a rational low-temperature cation exchange approach for the synthesis of metastable Zn4–xCoxO(terephthalate)3 (x > 1) materials, which have not been accessible through typical high-temperature solvothermal routes thus far.
MIT Department
Massachusetts Institute of Technology. Department of Chemistry
Francis Bitter Magnet Laboratory (Massachusetts Institute of Technology)
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DOI of Published Version
https://doi.org/10.1021/acscentsci.5b00247
