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Liquid metal–organic frameworks

Authors: Romain Gaillac; Pluton Pullumbi; Kevin A. Beyer; Karena W. Chapman; David A. Keen; Thomas D. Bennett; François-Xavier Coudert;

Liquid metal–organic frameworks

Abstract

Metal--organic frameworks (MOFs) are a family of chemically diverse materials, with applications in a wide range of fields covering engineering, physics, chemistry, biology and medicine. Research so far has focused almost entirely on crystalline structures, yet a clear trend has emerged shifting the emphasis onto disordered states of MOFs, including "defective by design" crystals, as well as amorphous phases such as glasses and gels. Here we introduce a MOF liquid, a strongly associated liquid obtained by melting a zeolitic imidazolate framework (ZIF), with retention of chemical configuration, coordinative bonding modes, and porosity of the parent crystalline framework. We combine in-situ variable temperature X-ray, ex-situ neutron pair distribution function experiments, and first principles molecular dynamics simulations to study the melting phenomenon and the nature of the liquid obtained, focusing on structural characterization at the molecular scale, dynamics of the species, and thermodynamics of the solid--liquid transition.

Keywords

[CHIM.MATE] Chemical Sciences/Material chemistry, Condensed Matter - Materials Science, 3403 Macromolecular and Materials Chemistry, 34 Chemical Sciences, Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, 4016 Materials Engineering, 3402 Inorganic Chemistry, [CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry, 40 Engineering

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    selected citations
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    This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    408
    popularity
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    Top 0.1%
    influence
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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
408
Top 0.1%
Top 1%
Top 0.1%
Green
bronze