Single-metal-ion-based molecular building blocks (MBBs) approach to the design and synthesis of metal–organic assemblies

2006 ◽  
Vol 796 (1-3) ◽  
pp. 160-164 ◽  
Author(s):  
Jacilynn A. Brant ◽  
Yunling Liu ◽  
Dorina F. Sava ◽  
Derek Beauchamp ◽  
Mohamed Eddaoudi
Keyword(s):  
Metal Ion ◽  
Building Blocks ◽  
Design And Synthesis ◽  
Molecular Building Blocks ◽  
Metal Organic ◽  
Organic Assemblies

Single Metal Ion Based Molecular Building Blocks (MBBs): Approach to the Design and Synthesis of Metal-Organic Assemblies

ChemInform ◽  
2007 ◽  
Vol 38 (4) ◽  
Author(s):  
Jacilynn A. Brant ◽  
Yunling Liu ◽  
Dorina F. Sava ◽  
Derek Beauchamp ◽  
Mohamed Eddaoudi
Keyword(s):  
Metal Ion ◽  
Building Blocks ◽  
Design And Synthesis ◽  
Molecular Building Blocks ◽  
Metal Organic ◽  
Organic Assemblies

scholarly journals Minimal edge-transitive nets for the design and construction of metal–organic frameworks

2017 ◽  
Vol 201 ◽  
pp. 127-143 ◽  
Author(s):  
Zhijie Chen ◽  
Hao Jiang ◽  
Michael O’Keeffe ◽  
Mohamed Eddaoudi
Keyword(s):  
Rational Design ◽  
Metal Organic Frameworks ◽  
Building Blocks ◽  
Hexagonal Prism ◽  
Design And Synthesis ◽  
Building Unit ◽  
Molecular Building Blocks ◽  
Metal Organic ◽  
Edge Transitive ◽  
Design And Construction

Highly-connected and minimal edge-transitive nets (with one or two kinds of edge) can be regarded as ideal blueprints for the rational design and construction of metal–organic frameworks (MOFs). Here we report and affirm the prominence of highly-connected nets as suitable targets in reticular chemistry for the design and synthesis of MOFs. Of special interest are augmented highly-connected binodal edge-transitive nets embedding a unique and precise positioning and connectivity of the net vertex figures, regarded as net-coded building units (net-cBUs). Explicitly, a definitenet-cBU encompasses precise geometrical information that codes a selected net uniquely and matchlessly, a compelling perquisite for the rational design of MOFs. Interestingly, the double six-membered ring (d6R) building unit offers great potential to be used as anet-cBU for the deliberate reticulation of the sole two edge-transitive nets with a vertex figure as a d6R, namely the (4,12)-coordinatedshpnet (square and hexagonal prism) and the (6,12)-coordinatedalbnet (aluminium diboride, hexagonal prism and trigonal prism). We envisioned and proposed various MOF structures based on the derivedshpandalbnets. Gaining access to the requisitenet-cBUs is essential for the successful practice of reticular chemistry; correspondingly organic and inorganic chemistries were deployed to afford concomitant molecular building blocks (MBBs) with the looked-for shape and connectivity. Practically, the combination of the 12-connected (12-c) rare-earth (RE) polynuclear, points of extension matching the 12 vertices of the hexagonal prism (d6R) with a 4-connected tetracarboxylate ligand or a 6-connected hexacarboxylate ligand afforded the targetedshp-MOF oralb-MOF, respectively. A dodecacarboxylate ligand can be conceived as, and is shown to be, a compatible 12-c MBB, plausibly affording the positioning of the carbon centers of the twelve carboxylate groups on the vertices of the desired hexagonal prism building unit, and combined with the complementary 4-c copper paddlewheel [Cu2(O2C–)4] cluster or 6-c metal trinuclear [M3O(O2C–)6] clusters/zinc tetranulcear [Zn4O(O2C–)6] clusters to credibly afford the construction of new MOF structures with underlying topologies based on derivedshpandalbnets.

A Molecular Artisans Guide to Supramolecular Coordination Complexes and Metal Organic Frameworks

2015 ◽  
Vol 03 (01n02) ◽  
pp. 1540004 ◽  
Author(s):  
Xialu Wu ◽  
David J. Young ◽  
T. S. Andy Hor
Keyword(s):  
Chemical Reactivity ◽  
Metal Organic Frameworks ◽  
Building Blocks ◽  
Coordination Complexes ◽  
Large Molecules ◽  
Molecular Building Blocks ◽  
Supramolecular Coordination ◽  
Metal Organic ◽  
Molecular Synthesis ◽  
And Function

As molecular synthesis advances, we are beginning to learn control of not only the chemical reactivity (and function) of molecules, but also of their interactions with other molecules. It is this basic idea that has led to the current explosion of supramolecular science and engineering. Parallel to this development, chemists have been actively pursuing the design of very large molecules using basic molecular building blocks. Herein, we review the general development of supramolecular chemistry and particularly of two new branches: supramolecular coordination complexes (SCCs) and metal organic frameworks (MOFs). These two fields are discussed in detail with typical examples to illustrate what is now possible and what challenges lie ahead for tomorrow's molecular artisans.

Supermolecular Building Blocks (SBBs) for the Design and Synthesis of Highly Porous Metal-Organic Frameworks

2008 ◽  
Vol 130 (6) ◽  
pp. 1833-1835 ◽  
Author(s):  
Farid Nouar ◽  
Jarrod F. Eubank ◽  
Till Bousquet ◽  
Lukasz Wojtas ◽  
Michael J. Zaworotko ◽  
...  
Keyword(s):  
Metal Organic Frameworks ◽  
Porous Metal ◽  
Building Blocks ◽  
Design And Synthesis ◽  
Metal Organic ◽  
Highly Porous

scholarly journals Inverse Design of Nanoporous Crystalline Reticular Materials with Deep Generative Models

2020 ◽  
Author(s):  
Zhenpeng Yao ◽  
Benjamin Sanchez-Lengeling ◽  
N. Scott Bobbitt ◽  
Benjamin J. Bucior ◽  
Sai Govind Hari Kumar ◽  
...  
Keyword(s):  
Self Assembly ◽  
Metal Organic Framework ◽  
Internal Surface ◽  
Building Blocks ◽  
Structural Features ◽  
Generative Models ◽  
Combinatorial Design ◽  
Surface Areas ◽  
Molecular Building Blocks ◽  
Metal Organic

Reticular frameworks are crystalline porous materials that form <i>via</i> the self-assembly of molecular building blocks (<i>i.e.</i>, nodes and linkers) in different topologies. Many of them have high internal surface areas and other desirable properties for gas storage, separation, and other applications. The notable variety of the possible building blocks and the diverse ways they can be assembled endow reticular frameworks with a near-infinite combinatorial design space, making reticular chemistry both promising and challenging for prospective materials design. Here, we propose an automated nanoporous materials discovery platform powered by a supramolecular variational autoencoder (SmVAE) for the generative design of reticular materials with desired functions. We demonstrate the automated design process with a class of metal-organic framework (MOF) structures and the goal of separating CO<sub>2</sub> from natural gas or flue gas. Our model exhibits high fidelity in capturing structural features and reconstructing MOF structures. We show that the autoencoder has a promising optimization capability when jointly trained with multiple top adsorbent candidates identified for superior gas separation. MOFs discovered here are strongly competitive against some of the best-performing MOFs/zeolites ever reported. This platform lays the groundwork for the design of reticular frameworks for desired applications.

scholarly journals Inverse Design of Nanoporous Crystalline Reticular Materials with Deep Generative Models

2020 ◽  
Author(s):  
Zhenpeng Yao ◽  
Benjamin Sanchez-Lengeling ◽  
N. Scott Bobbitt ◽  
Benjamin J. Bucior ◽  
Sai Govind Hari Kumar ◽  
...  
Keyword(s):  
Self Assembly ◽  
Metal Organic Framework ◽  
Internal Surface ◽  
Building Blocks ◽  
Structural Features ◽  
Generative Models ◽  
Combinatorial Design ◽  
Surface Areas ◽  
Molecular Building Blocks ◽  
Metal Organic

Reticular frameworks are crystalline porous materials that form <i>via</i> the self-assembly of molecular building blocks (<i>i.e.</i>, nodes and linkers) in different topologies. Many of them have high internal surface areas and other desirable properties for gas storage, separation, and other applications. The notable variety of the possible building blocks and the diverse ways they can be assembled endow reticular frameworks with a near-infinite combinatorial design space, making reticular chemistry both promising and challenging for prospective materials design. Here, we propose an automated nanoporous materials discovery platform powered by a supramolecular variational autoencoder (SmVAE) for the generative design of reticular materials with desired functions. We demonstrate the automated design process with a class of metal-organic framework (MOF) structures and the goal of separating CO<sub>2</sub> from natural gas or flue gas. Our model exhibits high fidelity in capturing structural features and reconstructing MOF structures. We show that the autoencoder has a promising optimization capability when jointly trained with multiple top adsorbent candidates identified for superior gas separation. MOFs discovered here are strongly competitive against some of the best-performing MOFs/zeolites ever reported. This platform lays the groundwork for the design of reticular frameworks for desired applications.

Stepwise Transformation of the Molecular Building Blocks in a Porphyrin-Encapsulating Metal–Organic Material

2013 ◽  
Vol 135 (16) ◽  
pp. 5982-5985 ◽  
Author(s):  
Zhenjie Zhang ◽  
Lukasz Wojtas ◽  
Mohamed Eddaoudi ◽  
Michael J. Zaworotko
Keyword(s):  
Organic Material ◽  
Building Blocks ◽  
Molecular Building Blocks ◽  
Metal Organic

Reticular Chemistry and Metal-Organic Frameworks for Clean Energy

MRS Bulletin ◽  
2009 ◽  
Vol 34 (9) ◽  
pp. 682-690 ◽  
Author(s):  
Omar M. Yaghi ◽  
Qiaowei Li
Keyword(s):  
Carbon Dioxide ◽  
Metal Organic Frameworks ◽  
Clean Energy ◽  
Building Blocks ◽  
Zeolitic Imidazolate Frameworks ◽  
Design Concepts ◽  
Surface Areas ◽  
Molecular Building Blocks ◽  
Metal Organic ◽  
Molecular Aspects

AbstractReticular chemistry concerns the linking of molecular building blocks into predetermined structures using strong bonds. We have been working on creating and developing the conceptual and practical basis of this new area of research. As a result, new classes of crystalline porous materials have been designed and synthesized: metal-organic frameworks, zeolitic imidazolate frameworks, and covalent organic frameworks. Crystals of this type have exceptional surface areas (2,000−6,000 m2/g) and take up voluminous amounts of hydrogen (7.5 wt% at 77 K and 3−4 × 106 Pa), methane (50 wt% at 298 K and 2.5 × 106 Pa), and carbon dioxide (140 wt% at 298 K and 3 × 106 Pa). We have driven the basic science all the way to applications without losing sight of our quest for understanding the underlying molecular aspects of this chemistry. The presentation was focused on the design concepts, synthesis, and structure of these materials, with emphasis on their applications to onboard energy storage.

Metalloligand Strategies for Assembling Heteronuclear Nanocages – Recent Developments

2019 ◽  
Vol 72 (10) ◽  
pp. 731 ◽  
Author(s):  
Feng Li ◽  
Leonard F. Lindoy
Keyword(s):  
Structural Properties ◽  
Metal Ion ◽  
Rational Design ◽  
Building Blocks ◽  
Structural Elements ◽  
Present Discussion ◽  
The Past ◽  
Recent Developments ◽  
Metal Organic ◽  
Multifunctional Ligand

The use of metalloligands as building blocks for the assembly of metallo-organic cages has received increasing attention over the past two decades or so. In part, the popularity of this approach reflects its stepwise nature that lends itself to the predesigned construction of metallocages and especially heteronuclear metallocages. The focus of the present discussion is on the use of metalloligands for the construction of discrete polyhedral cages, very often incorporating heterometal ions as structural elements. The metalloligand approach uses metal-bound multifunctional ligand building blocks that display predesigned structural properties for coordination to a second metal ion such that the rational design and construction of both homo- and heteronuclear metal–organic cages are facilitated. The present review covers published literature in the area from early 2015 to early 2019.

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