Porous Organic Alloys

Hasell, Tom; Chong, Samantha Y.; Schmidtmann, Marc; Adams, Dave J.; Cooper, Andrew I.

doi:10.1002/anie.201202849

Cited by 95 publications

(103 citation statements)

References 36 publications

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“…9 Indeed, the complexity of characterizing disordered systems is highlighted by examples where amorphisation of PMMs can give rise to increased porosity and others where disturbing a well ordered pore network leads to a bulk solid with a considerably lower porosity. 15,48,49 The inherent difficulty in understanding the pore networks of such materials has made molecular simulations that yield realistic structural representations of amorphous systems indispensable for the characterisation of PMMs. However, for more complex structures, extensive molecular dynamics simulations are employed.…”

Section: Amorphous Phasementioning

confidence: 99%

Application of computational methods to the design and characterisation of porous molecular materials

et al. 2017

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Composed from discete units, porous molecular materials (PMMs) possess unique properties not observed for conventional, extended, solids, such as solution processibility and permanent porosity in the liquid phase. However, identifying the origin of porosity is not a trivial process, especially for amorphous or liquid phases. Furthermore, the assembly of molecular components is typically governed by a subtle balance of weak intermolecular forces that makes structure prediction challenging. Accordingly, in this review we canvass the crucial role of molecular simulations in the characterisation and design of PMMs. We will outline strategies for modelling porosity in crystalline, amorphous and liquid phases and also describe the state-of-the-art methods used for high-throughput screening of large datasets to identify materials that exhibit novel performance characteristics.

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Section: Amorphous Phasementioning

confidence: 99%

Application of computational methods to the design and characterisation of porous molecular materials

et al. 2017

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“…38 This chiral recognition strategy was further exploited to generate "porous organic alloys," where the composition of the alloy could be precisely controlled. 12 Being able to de novo predict the 3D structures of POCs is seen as one approach likely to lead to rapid and step-change developments in the field. However as noted, unlike networked porous solids, such as MOFs and COFs, which have a bonding in 2-and 3-dimensions, POCs are molecular entities that assemble into 3-dimensional structures through weaker intermolecular interactions.…”

Section: ¹1mentioning

confidence: 99%

“…11 "access to organic alloys," 12 and solvent template porosity control. 13 In addition, by modifying how the cages are processed, either crystalline or amorphous porous solids can be realized, thus expanding the possibilities for material fabrication.…”

Section: Introductionmentioning

confidence: 99%

Synthesis and Applications of Porous Organic Cages

2015

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Solids composed of shape-persistent organic cage molecules are an emerging class of porous materials. Research in this area has recently progressed from understanding the nature of porosity in these materials to finding applications suited to their unique properties. For example, given that the cages are held together in the solid state by relatively weak (compared to covalent interactions) dispersion forces, the resultant materials are structurally flexible and thus physical properties, such as porosity, that can be modulated according to the adsorbate to which it is exposed. Moreover, discrete cages are soluble and can thus be reprecipitated as structural polymorphs that possess different properties, or processed into thin layers or composite materials such as mixed matrix membranes. In this review, we highlight the synthetic strategies that have been employed to produce porous organic cages and discuss recent advances in design concepts that have led to ultraporous solids. We will also canvass recent applications of these materials and posit potential areas of development.

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“…We showed previously that is was possible to form a ternary window-to-window co-crystal comprising the POCs CC1, CC3-R, and CC4-R, 49 with the general formula, (CC3-R x CC4-R y ) ·(CC1-S) (where x + y = 1). In the ternary co-crystal, CC4-R and CC3-R were disordered over one cage position, as a result, the composition of the ternary co-crystal, and the solid state porosity, could be fine-tuned by varying the molar ratio of CC3-R : CC4-R used during crystllisation.…”

Section: Ternary Co-crystalmentioning

confidence: 99%

Modular assembly of porous organic cage crystals: isoreticular quasiracemates and ternary co-crystal

et al. 2017

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a Small changes in molecular structure and crystallisation conditions can have a profound effect on the crystal packing of molecules. Increasing the system complexity-for example, by introducing multiple components-greatly increases the number of potential outcomes. Hence, the rational design of porous cocrystals with multiple components is challenging. Here, we report a family of isoreticular quasiracemate crystalline phases for porous organic cages, FT-RCC3-R·CCX-S (where X = 1, 2, or 4), that were prepared in a modular and predictable fashion. By using directional intermolecular interactions between cages, we were able to prepare a rare ternary co-crystal, (CC3-S 0.5 CC4-S 0.5 )·(CC13-S 0.5 CC3-S 0.25 CC4-S 0.25 ).

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Porous Organic Alloys

Cited by 95 publications

References 36 publications

Application of computational methods to the design and characterisation of porous molecular materials

Application of computational methods to the design and characterisation of porous molecular materials

Synthesis and Applications of Porous Organic Cages

Modular assembly of porous organic cage crystals: isoreticular quasiracemates and ternary co-crystal

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