Thermal and mechanical stability of zeolitic imidazolate frameworks polymorphs

Bourg, Lila Bouëssel du; Ortiz, Aurélie U.; Boutin, Anne; Coudert, François‐Xavier

doi:10.1063/1.4904818

Cited by 111 publications

(127 citation statements)

References 48 publications

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“…The structure contains one central nanopore per unit cell, with 2500 Å 3 volume and 11.6 Å pore diameter . ZIF MOF series containing imidazole based linkers has been widely used in different fields due to their robust structure, resistance to thermal changes and chemical stability . As can be observed in Figure and in contrast to the previous MOFs containing BDC, ZIF‐8 did not present evolution of any detectable gas, including CO 2 , upon continuous UV/Vis irradiation for 19 days under Ar atmosphere.…”

Section: Resultsmentioning

confidence: 89%

Long‐Term Photostability in Terephthalate Metal–Organic Frameworks

et al. 2019

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Prolonged (weeks) UV/Vis irradiation under Ar of , UiO66 Zr-NO 2 ,M IL101 Fe,M IL125 Ti-NH 2 , MIL101 Cr and MIL101 Cr(Pt) shows that these MOFs undergo photodecarboxylation of benzenedicarboxylate (BDC) linker in as ignificant percentage depending on the structure and composition of the material. Routine characterization techniques such as XRD,U V/Vis spectroscopya nd TGA fail to detect changes in the material, although porosity and surface area change upon irradiation of powders.I n contrast to BCD-containing MOFs,zeolitic imidazolate ZIF-8 does not evolve CO 2 or any other gas upon irradiation.Supportinginformation and the ORCID identification number(s) for the author(s) of this article can be found under https://doi.

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Section: Resultsmentioning

confidence: 89%

Long‐Term Photostability in Terephthalate Metal–Organic Frameworks

et al. 2019

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“…The microscopic picture of this mechanical instability, established through quantum chemistry calculations as well as experimental phonon measurements, shows that pressure-induced amorphization is linked to the existence of deformation modes of low elastic modulus and their pressure-induced softening (Fig. 3) 30 . This mechanism has now been confirmed on several MOFs of varying chemical composition and topology.…”

Section: Flexibility and Disordermentioning

confidence: 99%

Interplay between defects, disorder and flexibility in metal-organic frameworks

et al. 2016

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Metal-organic frameworks are a novel family of chemically diverse materials, which are of interest across engineering, physics, chemistry, biology and medicine-based disciplines. Since the development of the field in its current form more than two decades ago, priority has been placed on the synthesis of new structures. However, more recently, a clear trend has emerged in shifting the emphasis from material design to exploring the chemical and physical properties of structures already known. In particular, although such nanoporous materials were traditionally seen as rigid crystalline structures, there is growing evidence that large-scale flexibility, the presence of defects and long-range disorder are not the exception in metal-organic frameworks, but the rule. Here we offer some perspective into how these concepts are perhaps inescapably intertwined, highlight recent advances in our understanding and discuss how a consideration of the interfaces between them may lead to enhancements of the materials' functionalities.

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“…This has proven to be a reliable indicator of mechanical stability and potential for crystal-to-crystal phase transitions in metal–organic frameworks and other framework materials. 55 − 57 The resulting bulk, Young’s, and shear moduli are listed in Table S6 . All materials have reasonably large bulk moduli, between 9.0 and 9.5 GPa.…”

Section: Resultsmentioning

confidence: 99%

Polycatenated 2D Hydrogen-Bonded Binary Supramolecular Organic Frameworks (SOFs) with Enhanced Gas Adsorption and Selectivity

Lü

Perez-Krap

Trousselet

et al. 2018

Crystal Growth & Design

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Controlled assembly of two-dimensional (2D) supramolecular organic frameworks (SOFs) has been demonstrated through a binary strategy in which 1,4-bis-(4-(3,5-dicyano-2,6-dipyridyl)pyridyl)naphthalene (2), generated in situ by oxidative dehydrogenation of 1,4-bis-(4-(3,5-dicyano-2,6-dipyridyl)dihydropyridyl)naphthalene (1), is coupled in a 1:1 ratio with terphenyl-3,3′,4,4′-tetracarboxylic acid (3; to form SOF-8), 5,5′-(anthracene-9,10-diyl)diisophthalic acid (4; to form SOF-9), or 5,5′-bis-(azanediyl)-oxalyl-diisophthalic acid (5; to form SOF-10). Complementary O–H···N hydrogen bonds assemble 2D 63-hcb (honeycomb) subunits that pack as layers in SOF-8 to give a three-dimensional (3D) supramolecular network with parallel channels hosting guest DMF (DMF = N,N′-dimethylformamide) molecules. SOF-9 and SOF-10 feature supramolecular networks of 2D → 3D inclined polycatenation of similar hcb layers as those in SOF-8. Although SOF-8 suffers framework collapse upon guest removal, the polycatenated frameworks of SOF-9 and SOF-10 exhibit excellent chemical and thermal stability, solvent/moisture durability, and permanent porosity. Moreover, their corresponding desolvated (activated) samples SOF-9a and SOF-10a display enhanced adsorption and selectivity for CO2 over N2 and CH4. The structures of these activated compounds are well described by quantum chemistry calculations, which have allowed us to determine their mechanical properties, as well as identify their soft deformation modes and a large number of low-energy vibration modes. These results not only demonstrate an effective synthetic platform for porous organic molecular materials stabilized solely by primary hydrogen bonds but also suggest a viable means to build robust SOF materials with enhanced gas uptake capacity and selectivity.

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Thermal and mechanical stability of zeolitic imidazolate frameworks polymorphs

Cited by 111 publications

References 48 publications

Long‐Term Photostability in Terephthalate Metal–Organic Frameworks

Long‐Term Photostability in Terephthalate Metal–Organic Frameworks

Interplay between defects, disorder and flexibility in metal-organic frameworks

Polycatenated 2D Hydrogen-Bonded Binary Supramolecular Organic Frameworks (SOFs) with Enhanced Gas Adsorption and Selectivity

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