scholarly journals Bimetallic metal organic frameworks with precisely positioned metal centers for efficient H2 storage

2018 ◽  
Vol 54 (86) ◽  
pp. 12218-12221 ◽  
Author(s):  
Daeok Kim ◽  
Kyung Seob Song ◽  
Onur Buyukcakir ◽  
Taner Yildirim ◽  
Ali Coskun
Keyword(s):  
Metal Clusters ◽  
Metal Organic Frameworks ◽  
Metal Centers ◽  
Metal Organic

Predesigned metal clusters for ordered heterogeneity in MOFs.

Tuning the Redox Activity of Metal−Organic Frameworks for Enhanced, Selective O2 Binding

2019 ◽  
Author(s):  
Andrew Rosen ◽  
M. Rasel Mian ◽  
Timur Islamoglu ◽  
Haoyuan Chen ◽  
Omar Farha ◽  
...  
Keyword(s):  
Density Functional ◽  
Metal Organic Frameworks ◽  
Redox Activity ◽  
Screening Methods ◽  
Bridging Ligands ◽  
Metal Centers ◽  
Computational Screening ◽  
Open Metal Sites ◽  
Metal Organic ◽  
Unsaturated Metal Sites

<p>Metal−organic frameworks (MOFs) with coordinatively unsaturated metal sites are appealing as adsorbent materials due to their tunable functionality and ability to selectively bind small molecules. Through the use of computational screening methods based on periodic density functional theory, we investigate O<sub>2</sub> and N<sub>2</sub> adsorption at the coordinatively unsaturated metal sites of several MOF families. A variety of design handles are identified that can be used to modify the redox activity of the metal centers, including changing the functionalization of the linkers (replacing oxido donors with sulfido donors), anion exchange of bridging ligands (considering μ-Br<sup>-</sup>, μ-Cl<sup>-</sup>, μ-F<sup>-</sup>, μ-SH<sup>-</sup>, or μ-OH<sup>-</sup> groups), and altering the formal oxidation state of the metal. As a result, we show that it is possible to tune the O<sub>2</sub> affinity at the open metal sites of MOFs for applications involving the strong and/or selective binding of O<sub>2</sub>. In contrast with O<sub>2</sub> adsorption, N<sub>2</sub> adsorption at open metal sites is predicted to be relatively weak across the MOF dataset, with the exception of MOFs containing synthetically elusive V<sup>2+</sup> open metal sites. As one example from the screening study, we predict that exchanging the μ-Cl<sup>-</sup> ligands of M<sub>2</sub>Cl<sub>2</sub>(BBTA) (H<sub>2</sub>BBTA = 1<i>H</i>,5<i>H</i>-benzo(1,2-d:4,5-d′)bistriazole) with μ-OH<sup>-</sup> groups would significantly enhance the strength of O<sub>2</sub> adsorption at the open metal sites without a corresponding increase in the N<sub>2</sub> affinity. Experimental investigation of Co<sub>2</sub>Cl<sub>2</sub>(BBTA) and Co<sub>2</sub>(OH)<sub>2</sub>(BBTA) confirms that the former exhibits only weak physisorption, whereas the latter is capable of chemisorbing O<sub>2</sub> at room temperature. The chemisorption behavior is attributed to the greater electron-donating character of the μ-OH<sup>-</sup><sub> </sub>ligands and the presence of H-bonding interactions between the μ-OH<sup>-</sup> bridging ligands and the O<sub>2</sub> adsorbate.</p>

Smart metal organic frameworks: Focus on cancer treatment

2021 ◽  
Author(s):  
Monir Falsafi ◽  
Amir Shokooh Saljooghi ◽  
Khalil Abnous ◽  
Seyed Mohammad Taghdisi ◽  
Mohammad Ramezani ◽  
...  
Keyword(s):  
Drug Delivery ◽  
Cancer Treatment ◽  
Porous Materials ◽  
Metal Clusters ◽  
Metal Organic Frameworks ◽  
Controlled Systems ◽  
Metal Organic

Metal–organic frameworks (MOFs), as a prominent category of hybrid porous materials constructed from metal clusters or ions plus organic linkers, have been broadly employed as controlled systems of drug delivery...

Metal-organic frameworks for electrochemical reduction of carbon dioxide: The role of metal centers

2020 ◽  
Vol 40 ◽  
pp. 156-170 ◽  
Author(s):  
Ping Shao ◽  
Luocai Yi ◽  
Shumei Chen ◽  
Tianhua Zhou ◽  
Jian Zhang
Keyword(s):  
Carbon Dioxide ◽  
Electrochemical Reduction ◽  
Metal Organic Frameworks ◽  
Metal Centers ◽  
Metal Organic

Vapor-assisted self-conversion of basic carbonates in metal–organic frameworks

Nanoscale ◽  
2021 ◽  
Vol 13 (9) ◽  
pp. 5069-5076
Author(s):  
Miaomiao Jia ◽  
Jingyi Su ◽  
Pengcheng Su ◽  
Wanbin Li
Keyword(s):  
Carbon Capture ◽  
Metal Organic Frameworks ◽  
Solvent Vapor ◽  
Metal Centers ◽  
Metal Organic ◽  
High Alkalinity

Basic carbonates with high alkalinity are incorporated into metal–organic frameworks by solvent vapor-assisted self-conversion of partial metal centers to improve carbon capture performance.

scholarly journals Metal–Organic Frameworks as Key Materials for Solid-Phase Microextraction Devices—A Review

Separations ◽  
2019 ◽  
Vol 6 (4) ◽  
pp. 47 ◽  
Author(s):  
Gutiérrez-Serpa ◽  
Pacheco-Fernández ◽  
Pasán ◽  
Pino
Keyword(s):  
Metal Ion ◽  
Solid Phase Microextraction ◽  
Metal Clusters ◽  
Solid Phase ◽  
Metal Organic Frameworks ◽  
High Chemical ◽  
Current State ◽  
Metal Organic ◽  
Sorbent Materials ◽  
Ordered Porous

Metal–organic frameworks (MOFs) have attracted recently considerable attention in analytical sample preparation, particularly when used as novel sorbent materials in solid-phase microextraction (SPME). MOFs are highly ordered porous crystalline structures, full of cavities. They are formed by inorganic centers (metal ion atoms or metal clusters) and organic linkers connected by covalent coordination bonds. Depending on the ratio of such precursors and the synthetic conditions, the characteristics of the resulting MOF vary significantly, thus drifting into a countless number of interesting materials with unique properties. Among astonishing features of MOFs, their high chemical and thermal stability, easy tuneability, simple synthesis, and impressive surface area (which is the highest known), are the most attractive characteristics that makes them outstanding materials in SPME. This review offers an overview on the current state of the use of MOFs in different SPME configurations, in all cases covering extraction devices coated with (or incorporating) MOFs, with particular emphases in their preparation.

scholarly journals Increasing the Stability of Metal-Organic Frameworks

2014 ◽  
Vol 2014 ◽  
pp. 1-8 ◽  
Author(s):  
Mathieu Bosch ◽  
Muwei Zhang ◽  
Hong-Cai Zhou
Keyword(s):  
Metal Organic Frameworks ◽  
Luminescent Properties ◽  
Vacuum Treatment ◽  
Donor Ligands ◽  
Gas Sorption ◽  
Nitrogen Donor Ligands ◽  
Metal Centers ◽  
Ligand Interactions ◽  
Metal Organic ◽  
The Stability

Metal-organic frameworks (MOFs) are a new category of advanced porous materials undergoing study by many researchers for their vast variety of both novel structures and potentially useful properties arising from them. Their high porosities, tunable structures, and convenient process of introducing both customizable functional groups and unsaturated metal centers have afforded excellent gas sorption and separation ability, catalytic activity, luminescent properties, and more. However, the robustness and reactivity of a given framework are largely dependent on its metal-ligand interactions, where the metal-containing clusters are often vulnerable to ligand substitution by water or other nucleophiles, meaning that the frameworks may collapse upon exposure even to moist air. Other frameworks may collapse upon thermal or vacuum treatment or simply over time. This instability limits the practical uses of many MOFs. In order to further enhance the stability of the framework, many different approaches, such as the utilization of high-valence metal ions or nitrogen-donor ligands, were recently investigated. This review details the efforts of both our research group and others to synthesize MOFs possessing drastically increased chemical and thermal stability, in addition to exemplary performance for catalysis, gas sorption, and separation.

scholarly journals Screening for high-spin metal organic frameworks (MOFs): density functional theory study on DUT-8(M1,M2) (with Mi = V,…,Cu)

2016 ◽  
Vol 18 (11) ◽  
pp. 8075-8080 ◽  
Author(s):  
Sebastian Schwalbe ◽  
Kai Trepte ◽  
Gotthard Seifert ◽  
Jens Kortus
Keyword(s):  
Density Functional Theory ◽  
High Spin ◽  
First Principles ◽  
Density Functional ◽  
Metal Organic Framework ◽  
Metal Organic Frameworks ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Metal Centers ◽  
Metal Organic

We present a first principles study of low-spin (LS)/high-spin (HS) screening for 3d metal centers in the metal organic framework (MOF) DUT-8(Ni).

Metal–organic frameworks for photocatalysis

2016 ◽  
Vol 18 (11) ◽  
pp. 7563-7572 ◽  
Author(s):  
Ying Li ◽  
Hua Xu ◽  
Shuxin Ouyang ◽  
Jinhua Ye
Keyword(s):  
Metal Complex ◽  
Charge Separation ◽  
Photocatalytic Performance ◽  
Metal Clusters ◽  
Structural Characteristics ◽  
Metal Organic Frameworks ◽  
Metal Organic ◽  
Organic Linker ◽  
Ordered Porous ◽  
Metal Complex Catalysts

Metal–organic frameworks (MOFs) have emerged as novel photocatalysts owing to their inherent structural characteristics of a large surface area and a well-ordered porous structure. In this article, we summarize various strategies carried out over MOFs via either modification of the organic linker/metal clusters or incorporation with metal/complex catalysts to enhance the light absorption, charge separation, reactant adsorption/activation of MOF-based photocatalysis towards the superior photocatalytic performance.

Sign in / Sign up

Export Citation Format

Share Document