scholarly journals Cover Feature: Hierarchical Self-Assembly of Supramolecular Coordination Polymers Using Giant Metal-Organic Nanocapsules as Building Blocks (Chem. Eur. J. 54/2018)

2018 ◽  
Vol 24 (54) ◽  
pp. 14293-14293 ◽  
Author(s):  
Chen Zhang ◽  
Fang Wang ◽  
Rahul S. Patil ◽  
Charles L. Barnes ◽  
Tao Li ◽  
...  
Keyword(s):  
Coordination Polymers ◽  
Self Assembly ◽  
Building Blocks ◽  
Supramolecular Coordination ◽  
Metal Organic

Hierarchical Self-Assembly of Supramolecular Coordination Polymers Using Giant Metal-Organic Nanocapsules as Building Blocks

2018 ◽  
Vol 24 (54) ◽  
pp. 14335-14340 ◽  
Author(s):  
Chen Zhang ◽  
Fang Wang ◽  
Rahul S. Patil ◽  
Charles L. Barnes ◽  
Tao Li ◽  
...  
Keyword(s):  
Coordination Polymers ◽  
Self Assembly ◽  
Building Blocks ◽  
Supramolecular Coordination ◽  
Metal Organic

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.

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.

scholarly journals Self-Assembly of Catalytically Active Supramolecular Coordination Compounds within Metal–Organic Frameworks

2019 ◽  
Vol 141 (26) ◽  
pp. 10350-10360 ◽  
Author(s):  
Rosa Adam ◽  
Marta Mon ◽  
Rossella Greco ◽  
Lucas H. G. Kalinke ◽  
Alejandro Vidal-Moya ◽  
...  
Keyword(s):  
Self Assembly ◽  
Coordination Compounds ◽  
Metal Organic Frameworks ◽  
Supramolecular Coordination ◽  
Catalytically Active ◽  
Metal Organic

Amalgamating 4′-substituted 4,2′:6′,4′′-terpyridine ligands with double-helical chains or ladder-like networks

RSC Advances ◽  
2016 ◽  
Vol 6 (11) ◽  
pp. 9270-9277 ◽  
Author(s):  
Guoqi Zhang ◽  
Jiawen Tan ◽  
Tonya Phoenix ◽  
David R. Manke ◽  
James A. Golen ◽  
...  
Keyword(s):  
Coordination Polymers ◽  
Self Assembly ◽  
Structural Diversity ◽  
Metal Organic ◽  
Terpyridine Ligands ◽  
First Time

HgII-mediated self-assembly of metal–organic coordination polymers based on 4,2′:6′,4′′-terpyridine derivatives is for the first time presented and the structural diversity dependent upon the use of 4′-substituents of ligand is revealed.

Self-assembly of supramolecular coordination polymers constructed from AgCN and bipodal spacers

Polyhedron ◽  
2009 ◽  
Vol 28 (5) ◽  
pp. 873-882 ◽  
Author(s):  
Safaa El-din H. Etaiw ◽  
Dina M. Abd El-Aziz ◽  
Ahmed S. Badr El-din
Keyword(s):  
Coordination Polymers ◽  
Self Assembly ◽  
Supramolecular Coordination

Interpenetrating metal-organic frameworks formed by self-assembly of tetrahedral and octahedral building blocks

2009 ◽  
Vol 182 (11) ◽  
pp. 3105-3112 ◽  
Author(s):  
Yong-Ming Lu ◽  
Ya-Qian Lan ◽  
Yan-Hong Xu ◽  
Zhong-Min Su ◽  
Shun-Li Li ◽  
...  
Keyword(s):  
Self Assembly ◽  
Metal Organic Frameworks ◽  
Building Blocks ◽  
Metal Organic

scholarly journals From a Well-Defined Organozinc Precursor to Diverse Luminescent Coordination Polymers Based on Zn(II)-Quinolinate Building Units Interconnected by Mixed Ligand Systems

Molecules ◽  
2021 ◽  
Vol 26 (23) ◽  
pp. 7402
Author(s):  
Katarzyna Sołtys-Brzostek ◽  
Kamil Sokołowski ◽  
Iwona Justyniak ◽  
Michał K. Leszczyński ◽  
Natalia Olejnik-Fehér ◽  
...  
Keyword(s):  
Coordination Polymer ◽  
Coordination Polymers ◽  
Self Assembly ◽  
Rational Design ◽  
Building Blocks ◽  
Mixed Ligand ◽  
Direct Reaction ◽  
Synthetic Strategy ◽  
Secondary Building Units ◽  
Additional Base

Introduction of photoactive building blocks into mixed-ligand coordination polymers appears to be a promising way to produce new advanced luminescent materials. However, rational design and self-assembly of the multi-component supramolecular systems is challenging from both a conceptual and synthetic perspective. Here, we report exploratory studies that investigate the potential of [Zn(q)2]2[tBuZn(OH)]2 complex (q = deprotonated 8-hydroxyquinoline) as an organozinc precursor as well as a mixed-ligand synthetic strategy for the preparation of new luminescent coordination polymers (CPs). As a result we present three new 2D mixed-ligand Zn(II)-quinolinate coordination polymers which are based on various zinc quinolinate secondary building units interconnected by two different organic linker types, i.e., deprotonated 4,4′-oxybisbenzoic acid (H2obc) as a flexible dicarboxylate linker and/or selected bipyridines (bipy). Remarkably, using the title organozinc precursors in a combination with H2obc and 4,4′-bipyridine, a novel molecular zinc quinolinate building unit, [Zn4(q)6(bipy)2(obc)2], was obtained which self-assembled into a chain-type hydrogen-bonded network. The application of the organometallic precursor allowed for its direct reaction with the selected ligands at ambient temperature, avoiding the use of both solvothermal conditions and additional base reagents. In turn, the reaction involving Zn(NO3)2, as a classical inorganic precursor, in a combination with H2obc and bipy led to a novel 1D coordination polymer [Zn2(q)2(NO3)2(bipy)]. While the presence of H2obc was essential for the formation of this coordination polymer, this ditopic linker was not incorporated into the isolated product, which indicates its templating behavior. The reported compounds were characterized by single-crystal and powder X-ray diffraction, elemental analysis as well as UV-Vis and photoluminescence spectroscopy.

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.

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