
pmid: 29035353
arXiv: 1704.06526
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.
[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
[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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