Emergent Research Trends on the Structural Relaxation Dynamics of Molecular Clusters: From Structure–Property Relationship to New Function Prediction DOI
Binghui Xue,

Yuyan Lai,

Linkun Cai

et al.

Accounts of Chemical Research, Journal Year: 2024, Volume and Issue: unknown

Published: Oct. 3, 2024

ConspectusMolecular clusters (MCs) are monodispersed, precisely defined ensembles of atom collections featured with shape-persistent architectures that can deliver certain functions independently. Their molecular compositions and surface functionalities be tailored feasibly in a predefined manner, they applied as basic structural units to engineered into materials desirable hierarchical structures enriched functions. The chemical systems also offer great opportunities for the design fabrication soft without chain topologies polymers. bulks MC assemblies demonstrate viscoelasticity is used considered unique feature polymers, while distinct from polymers since their elasticities resilient even at temperatures 100 K above glass transition temperatures. understanding anomalous extended studies general structure-property relationships desired development new emergent possibilities resolve intrinsic trade-offs traditional materials.Meanwhile, macroscopic or properties related transportation mass, momentum, and/or energy, basically realized directed by motions different length scales. Structural relaxation dynamics research critical quantifying ranging fast bond deformation, break/formation, diffusion ions particles cooperative structure units. Due advancement measurement technology (e.g., quasi-elastic scattering broadband dielectric spectroscopy), have been probed first time, multiple modes across several temporal scales were systematically studied bridge correlation between fingerprint information studies, e.g., temperature dependence time property, ion conductivity, was proposed quantify relationship, microscopic mechanism on mechanical properties, conduction, gas absorption separation fully understood.In this Account, elucidate uniqueness materials, especially comparison four topics mainly summarized: features, characterization techniques, characteristics, quantified relationship. capability function prediction introduced, typical example impact resistant provided. Account aims prove significance material innovation, it confirms potential MCs functional fabrications.

Language: Английский

Recent advances on photocatalytic CO2 reduction using CeO2-based photocatalysts: A review DOI
Khondaker Afrina Hoque,

Sharmin Ara Sathi,

Farjana Akter

et al.

Journal of environmental chemical engineering, Journal Year: 2024, Volume and Issue: 12(5), P. 113487 - 113487

Published: July 6, 2024

Language: Английский

Citations

14
Engineering Photoswitching Dynamics in 3D Photochromic Metal–Organic Frameworks through a Metal–Organic Polyhedron Design DOI Creative Commons
Eunji Jin, Volodymyr Bon, Shubhajit Das

et al.

Journal of the American Chemical Society, Journal Year: 2025, Volume and Issue: unknown

Published: Feb. 25, 2025

Metal–organic polyhedra (MOPs) are versatile supramolecular building blocks for the design of highly porous frameworks by reticular assembly because their diverse geometries, multiple degrees freedom regarding functionalization, and accessible metal sites. Lipophilic functionalization is demonstrated to enable rational crystallization with photoactive N-donor ligands in an aliphatic solvent achieve multiaxially aligned photoresponsive diarylethene (DTE) moieties 3D (DUT-210(M), M = Cu Rh) featuring cooperative switchability. Combined experimental theoretical investigations based on situ PXRD, UV–vis spectroscopy, density functional theory calculations demonstrate deliberate kinetic engineering photoswitchability variations metal–ligand bond strengths. The novel important step toward knowledge-based development photon-driven motors, actuators, release systems.

Language: Английский

Citations

0
Natural language access point to digital metal–organic polyhedra chemistry in The World Avatar DOI Creative Commons
Simon D. Rihm, Dan Tran, Aleksandar Kondinski

et al.

Data-Centric Engineering, Journal Year: 2025, Volume and Issue: 6

Published: Jan. 1, 2025

Abstract Metal–organic polyhedra (MOPs) are discrete, porous metal–organic assemblies known for their wide-ranging applications in separation, drug delivery, and catalysis. As part of The World Avatar (TWA) project—a universal interoperable knowledge model—we have previously systematized MOPs expanded the explorable MOP space with novel targets. Although these data available via a complex query language, more user-friendly interface is desirable to enhance accessibility. To address similar challenge other chemistry domains, natural language question-answering system “Marie” has been developed; however, its scalability limited due reliance on supervised fine-tuning, which hinders adaptability new domains. In this article, we introduce an enhanced database first-of-its-kind tailored chemistry. By augmenting TWA’s geometry data, enable visualization not just empirically verified structures but also machine-predicted ones. addition, renovated Marie’s semantic parser adopt in-context few-shot learning, allowing seamless interaction extensive repository. These advancements significantly improve accessibility versatility TWA, marking important step toward accelerating automating development reticular materials aid digital assistants.

Language: Английский

Citations

0
Convenient Multigram-Scale Synthesis of Phase-Pure Zirconium Metal–Organic Cages DOI
Benjamin Le Ouay,

Mirei Tokiwa,

Ryo Ohtani

et al.

Chemistry of Materials, Journal Year: 2025, Volume and Issue: unknown

Published: April 25, 2025

Language: Английский

Citations

0
Bifunctional Metal‐Organic Nanoballs Featuring Lewis Acidic and Basic Sites as a New Platform for One‐Pot Tandem Catalysis DOI
Gaurav Verma, Sanjay Kumar,

Elliott R. Slaughter

et al.

ChemPlusChem, Journal Year: 2024, Volume and Issue: 89(8)

Published: April 5, 2024

The design and synthesis of polyhedra using coordination-driven self-assembly has been an intriguing research area for synthetic chemists. Metal-organic are a class intricate molecular architectures that have garnered significant attention in the literature due to their diverse structures potential applications. Hereby, we report Cu-MOP, bifunctional metal-organic cuboctahedra built 2,6-dimethylpyridine-3,5-dicarboxylic acid copper acetate at room temperature. presence both Lewis basic pyridine groups acidic sites imparts catalytic activity Cu-MOP tandem one-pot deacetalization-Knoevenagel/Henry reactions. effect solvent system time duration on yields reactions was studied, results illustrate promising these cuboctahedra, also known as nanoballs applications catalysis.

Language: Английский

Citations

3
Organic and Metal–Organic Polymer-Based Catalysts—Enfant Terrible Companions or Good Assistants? DOI Creative Commons
Milan Králik, Peter Koóš, Martin Markovič

et al.

Molecules, Journal Year: 2024, Volume and Issue: 29(19), P. 4623 - 4623

Published: Sept. 29, 2024

This overview provides insights into organic and metal–organic polymer (OMOP) catalysts aimed at processes carried out in the liquid phase. Various types of polymers are discussed, including vinyl (various functional poly(styrene-co-divinylbenzene) perfluorinated functionalized hydrocarbons, e.g., Nafion), condensation (polyesters, -amides, -anilines, -imides), additional (polyurethanes, polyureas, polybenzimidazoles, polyporphyrins), prepared from organometal monomers. Covalent frameworks (COFs), (MOFs), their composites represent a significant class OMOP catalysts. Following this, preparation, characterization, application dispersed metal discussed. Key catalytic such as alkylation—used large-scale applications like production alkyl-tert-butyl ether bisphenol A—as well reduction, oxidation, other reactions, highlighted. The versatile properties COFs MOFs, well-defined nanometer-scale pores, large surface areas, excellent chemisorption capabilities, make them highly promising for chemical, electrochemical, photocatalytic applications. Particular emphasis is placed on potential CO2 treatment. However, notable drawback COF- MOF-based relatively low stability both alkaline acidic environments, high cost. A special part devoted to deactivation disposal used/deactivated catalysts, emphasizing importance separating heavy metals conclusion guidance selecting developing OMOP-based

Language: Английский

Citations

2
Integration TiO2 Nanosheets into Defect Engineered Zr-Based MOF for Highly Selective and Efficient Photocatalytic Conversion of CO2 to Ethane DOI
Mohamed J. Saadh, Mustafa Abbas Mustafa, Farag M. A. Altalbawy

et al.

Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: unknown, P. 140830 - 140830

Published: Nov. 1, 2024

Language: Английский

Citations

2
Emergent Research Trends on the Structural Relaxation Dynamics of Molecular Clusters: From Structure–Property Relationship to New Function Prediction DOI
Binghui Xue,

Yuyan Lai,

Linkun Cai

et al.

Accounts of Chemical Research, Journal Year: 2024, Volume and Issue: unknown

Published: Oct. 3, 2024

ConspectusMolecular clusters (MCs) are monodispersed, precisely defined ensembles of atom collections featured with shape-persistent architectures that can deliver certain functions independently. Their molecular compositions and surface functionalities be tailored feasibly in a predefined manner, they applied as basic structural units to engineered into materials desirable hierarchical structures enriched functions. The chemical systems also offer great opportunities for the design fabrication soft without chain topologies polymers. bulks MC assemblies demonstrate viscoelasticity is used considered unique feature polymers, while distinct from polymers since their elasticities resilient even at temperatures 100 K above glass transition temperatures. understanding anomalous extended studies general structure-property relationships desired development new emergent possibilities resolve intrinsic trade-offs traditional materials.Meanwhile, macroscopic or properties related transportation mass, momentum, and/or energy, basically realized directed by motions different length scales. Structural relaxation dynamics research critical quantifying ranging fast bond deformation, break/formation, diffusion ions particles cooperative structure units. Due advancement measurement technology (e.g., quasi-elastic scattering broadband dielectric spectroscopy), have been probed first time, multiple modes across several temporal scales were systematically studied bridge correlation between fingerprint information studies, e.g., temperature dependence time property, ion conductivity, was proposed quantify relationship, microscopic mechanism on mechanical properties, conduction, gas absorption separation fully understood.In this Account, elucidate uniqueness materials, especially comparison four topics mainly summarized: features, characterization techniques, characteristics, quantified relationship. capability function prediction introduced, typical example impact resistant provided. Account aims prove significance material innovation, it confirms potential MCs functional fabrications.

Language: Английский

Citations

1