Polygons and Faceted Polyhedra and Nanoporous Networks

Lu, Joan; Mondal, Arunendu; Moulton, Brian; Zaworotko, Michael J.

doi:10.1002/1521-3773(20010601)40:11<2113::aid-anie2113>3.0.co;2-3

Cited by 188 publications

(28 citation statements)

References 22 publications

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“…94 Of course, there is no doubt this type of structure (beta-rht-MOFs) can be expanded by increasing the size of the branches between the 3-c central core (organic or 3-c paddlewheel) and the rdo cage, similar to what Eddaoudi et al reported for the classical ''alpha'' rht-MOFs. 12 Interestingly, the occurrence of the first beta-rht-MOF can be retroactively traced back to 2001 for a (3,3,4)-c structure reported by Zaworotko et al 95 It is not surprising that the beta-rht-MOF was not recognized back then, as the SBB approach to describe and construct MOFs, a more elaborate tool permitting to recognize net-cBUs, was not introduced until years later in 2007. 13,23,24 2.2.6.…”

Section: Review Article Chem Soc Revmentioning

confidence: 99%

A supermolecular building approach for the design and construction of metal–organic frameworks

et al. 2014

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In this review, we describe two recently implemented conceptual approaches facilitating the design and deliberate construction of metal–organic frameworks (MOFs), namely supermolecular building block (SBB) and supermolecular building layer (SBL) approaches. Our main objective is to offer an appropriate means to assist/aid chemists and material designers alike to rationally construct desired functional MOF materials, made-to-order MOFs. We introduce the concept of net-coded building units (net-cBUs), where precise embedded geometrical information codes uniquely and matchlessly a selected net, as a compelling route for the rational design of MOFs. This concept is based on employing pre-selected 0-periodic metal–organic polyhedra or 2-periodic metal–organic layers, SBBs or SBLs respectively, as a pathway to access the requisite net-cBUs. In this review, inspired by our success with the original rht-MOF, we extrapolated our strategy to other known MOFs via their deconstruction into more elaborate building units (namely polyhedra or layers) to (i) elucidate the unique relationship between edge-transitive polyhedra or layers and minimal edge-transitive 3-periodic nets, and (ii) illustrate the potential of the SBB and SBL approaches as a rational pathway for the design and construction of 3-periodic MOFs. Using this design strategy, we have also identified several new hypothetical MOFs which are synthetically targetable.

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Section: Review Article Chem Soc Revmentioning

confidence: 99%

A supermolecular building approach for the design and construction of metal–organic frameworks

et al. 2014

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“…5) is formed by the structure '2000000' and also HKUST-1, both showing large uptake at 1 atm (B2%) and reaching the volumetric target at pressures around 10 atm. In fact, '2000000' (Zn) 44 is isostructural to HKUST-1 (Cu), which means that our screening has been able to identify one of the best paddle-wheel based hydrogen adsorbers to date.…”

Section: Second Screening: Paddle-wheel-containing Mofsmentioning

confidence: 95%

Screening of hypothetical metal–organic frameworks for H₂ storage

Gómez

Toda

Sastre

2014

Phys. Chem. Chem. Phys.

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Computational screening throughout a database containing ∼138 000 metal-organic frameworks (MOFs) has been performed to select candidate structures for hydrogen storage. A total of 231 structures (of which 79 contain paddle-wheel units) have been selected that meet the gravimetric and volumetric targets at 100 atm and 77 K. Grand Canonical Monte Carlo simulations have been performed to calculate the isotherms and select structures which meet the targets at 50 atm, and also to check the adsorption in the low pressure regime (1 atm). From this a reduced set of 18 structures has been analysed in more detail, regarding not only gravimetric and volumetric uptake but also pore size distribution and pore volume. A few structures with 3% gravimetric uptake at 1 atm and 77 K perform at the best level found so far.

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“…HKUST-1, formed through the assembly of benzene-1,3,5-tricarboxylate anions and copper(II) 61 or zinc(II) 76 cations, is well suited to serve as a platform for heme biomimetic chemistry, since its topology affords three distinctly different polyhedral cages capable of entrapping guest molecules (Figure 9). The HKUST-1 framework has been shown to selectively encapsulate polyoxometalate anions and to exhibit size-selective catalysis of ester hydrolysis.…”

Section: Momzymes: Metal Organic Biomimetic Heme Catalysismentioning

confidence: 99%

Mimicking Heme Enzymes in the Solid State

Larsen¹

2013

Handbook of Porphyrin Science

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Polygons and Faceted Polyhedra and Nanoporous Networks

Cited by 188 publications

References 22 publications

A supermolecular building approach for the design and construction of metal–organic frameworks

A supermolecular building approach for the design and construction of metal–organic frameworks

Screening of hypothetical metal–organic frameworks for H₂ storage

Mimicking Heme Enzymes in the Solid State

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Polygons and Faceted Polyhedra and Nanoporous Networks

Cited by 188 publications

References 22 publications

A supermolecular building approach for the design and construction of metal–organic frameworks

A supermolecular building approach for the design and construction of metal–organic frameworks

Screening of hypothetical metal–organic frameworks for H2 storage

Mimicking Heme Enzymes in the Solid State

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Screening of hypothetical metal–organic frameworks for H₂ storage