Hetero-bimetallic metal–organic polyhedra

Teo, Jesse; Coghlan, Campbell J.; Evans, Jack D.; Tsivion, Ehud; Head‐Gordon, Martin; Sumby, Christopher J.; Doonan, Christian J.

doi:10.1039/c5cc08336b

Cited by 65 publications

(50 citation statements)

References 37 publications

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“…This phenomenon indicates the similarity in the chemical environmenta nd bonding in the MOPs andt he corresponding MOFs. [14] Thea vailables urface areas for the other two MOPs are less and this variation of the surface area results from the stabilityo ft he MOP units that originated from their crystal packing. All these MOPs are found to be thermally stable up to 300 8Cw ith removal of trapped and coordinated solvent molecules ( Figure S11).…”

Section: Resultsmentioning

confidence: 99%

“…Adsorption of N 2 by MOP-EIAs hows an availability of 450 m 2 g À1 surfacea s per the BET equation;o ne of the highest values reported to date for discrete MOPs (Figure 3). [14] Thea vailables urface areas for the other two MOPs are less and this variation of the surface area results from the stabilityo ft he MOP units that originated from their crystal packing. MOP-EIA has ac losely packed structure where the distance between adjacent MOP units is minimal [8.5 8.5 8.5 ].…”

Section: Resultsmentioning

confidence: 99%

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Self‐Exfoliated Metal‐Organic Nanosheets through Hydrolytic Unfolding of Metal‐Organic Polyhedra

Garai

Mallick

Das

et al. 2017

Chemistry A European J

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Few-layers thick metal-organic nanosheets have been synthesized using water-assisted solid-state transformation through a combined top-down and bottom-up approach. The metal-organic polyhedra (MOPs) convert into metal-organic frameworks (MOFs) which subsequently self-exfoliate into few-layered metal-organic nanosheets. These MOP crystals experience a hydrophobicity gradient with the inner surface during contact with water because of the existence of hydrophobic spikes on their outer surface. When the amount of water available for interaction is higher, the resultant layers are not stacked to form bulk materials; instead few-layered nanosheets with high uniformity were obtained in high yield. The phenomenon has resulted high yield production of uniformly distributed layered metal-organic nanosheets from three different MOPs, showing its general adaptability.

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Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Self‐Exfoliated Metal‐Organic Nanosheets through Hydrolytic Unfolding of Metal‐Organic Polyhedra

Garai

Mallick

Das

et al. 2017

Chemistry A European J

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“…This can be simply for characterising the interaction energy between the material and the gas 82 or to generate tailored model potentials for GCMC simulations. 84 A unique approach was recently applied by Barbour and coworkers.…”

Section: Gas Adsorptionmentioning

confidence: 99%

“…81 Alternatively, electronic structure simulations can be used to investigate local guest-host interactions. 82 Grand canonical Monte Carlo (GCMC) simulations have been used to simulate full adsorption isotherms from using atomatom model potentials. These simulations produce isotherms that can be compared to experimental results, but can also highlight favourable adsorption sites.…”

Section: Gas Adsorptionmentioning

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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“…17 tert -Butyl functionalization has been utilized for the preparation of molecular coordination assemblies for chromium, 11,18 copper, 19 molybdenum, 8 ruthenium, 9 and a number of heterobimetallic units. 20 Further, for paddlewheel building units with this ligand, higher-dimensional materials have only been reported for copper. 21 The reaction of nickel(II) or cobalt(II) salts with H 2 t Bu-bdc, however, afforded the two-dimensional hexagonal material for the former and a strictly amorphous material for the latter.…”

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confidence: 99%

Design and Synthesis of Porous Nickel(II) and Cobalt(II) Cages

et al. 2018

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Coordination assemblies containing transition-metal cations with coordinatively unsaturated sites remain a challenging target in the synthesis of porous molecules. Herein, we report the design, synthesis, and characterization of three porous hybrid inorganic/organic porous molecular assemblies based on cobalt(II) and nickel(II). Precise tuning of ligand functionalization allows for the isolation of molecular species in addition to two-and three-dimensional metal−organic frameworks. The cobaltous and nickelous cage compounds display excellent thermal stabilities in excess of 473 K and Brunauer−Emmett−Teller surface areas on the order of 200 m2/g. The precise ligand functionalization utilized here to control phases between discrete molecules and higher- dimensional solids can potentially further be tuned to optimize the porosity and solubility in future molecular systems.

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Hetero-bimetallic metal–organic polyhedra

Abstract: Porous metal–organic polyhedra (MOPs), constructed from heterometallic PdII–MII (M = Cu, Ni, Zn) paddlewheel nodes and 5-tert-butyl-1,3-benzenedicarboxylate organic links, were prepared in which the PdII ions preferentially line the inner surface of the cage molecules.

Cited by 65 publications

References 37 publications

Self‐Exfoliated Metal‐Organic Nanosheets through Hydrolytic Unfolding of Metal‐Organic Polyhedra

Self‐Exfoliated Metal‐Organic Nanosheets through Hydrolytic Unfolding of Metal‐Organic Polyhedra

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

Design and Synthesis of Porous Nickel(II) and Cobalt(II) Cages

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