Enhanced H2Adsorption in Isostructural Metal−Organic Frameworks with Open Metal Sites: Strong Dependence of the Binding Strength on Metal Ions

2008 ◽  
Vol 130 (46) ◽  
pp. 15268-15269 ◽  
Author(s):  
Wei Zhou ◽  
Hui Wu ◽  
Taner Yildirim
Keyword(s):  
Metal Ions ◽  
Strong Dependence ◽  
Metal Organic Frameworks ◽  
Binding Strength ◽  
Open Metal Sites ◽  
Metal Organic

Creation of MOFs with open metal sites by partial replacement of metal ions with different coordination numbers

2019 ◽  
Vol 48 (8) ◽  
pp. 2545-2548 ◽  
Author(s):  
Yuki Harada ◽  
Yuh Hijikata ◽  
Shinpei Kusaka ◽  
Akihiro Hori ◽  
Yunsheng Ma ◽  
...  
Keyword(s):  
Metal Ions ◽  
Metal Organic Frameworks ◽  
Partial Replacement ◽  
Coordination Numbers ◽  
Open Metal Sites ◽  
Metal Organic

Herein, we developed isostructural metal–organic frameworks (MOFs) [Cu1−xPdx(SiF6)(bpy)2] (bpy: 4,4′-bipyridine) (SIFSIX-1-CuPd-3, -5 and -10) containing open metal sites using a partial metal-replacement approach.

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>

Core-shell ZIF-8@polydopamine nanoparticles obtained by mitigating polydopamine coating induced self-etching of MOFs: prototypical metal ion reservoirs for sticking to and killing bacteria

2021 ◽  
Author(s):  
Yingxue Tu ◽  
Caifen Lei ◽  
Fei Deng ◽  
Yiang Chen ◽  
Ying Wang ◽  
...  
Keyword(s):  
Metal Ions ◽  
Metal Ion ◽  
Biomedical Applications ◽  
Metal Organic Frameworks ◽  
Core Shell ◽  
Metal Organic

Metal organic frameworks (MOFs) have the potential to boost the undervalued biomedical applications of metal ions. Such endeavor has been hindered by the challenge of how to avoid the (cyto)toxicity...

Enhanced performance in gas adsorption and Li ion batteries by docking Li+ in a crown ether-based metal–organic framework

2016 ◽  
Vol 52 (14) ◽  
pp. 3003-3006 ◽  
Author(s):  
Linyi Bai ◽  
Binbin Tu ◽  
Yi Qi ◽  
Qiang Gao ◽  
Dong Liu ◽  
...  
Keyword(s):  
Crown Ether ◽  
Metal Ions ◽  
Gas Adsorption ◽  
Metal Organic Framework ◽  
Metal Organic Frameworks ◽  
Li Ion Batteries ◽  
Metal Organic ◽  
Li Ion ◽  
Organic Framework

Incorporating supramolecular recognition units, crown ether rings, into metal–organic frameworks enables the docking of metal ions through complexation for enhanced performance.

Microporous lanthanide metal-organic frameworks

2012 ◽  
Vol 32 (2-4) ◽  
pp. 81-100 ◽  
Author(s):  
Yao Chen ◽  
Shengqian Ma
Keyword(s):  
Optical Properties ◽  
Metal Ions ◽  
Porous Materials ◽  
Chemical Sensing ◽  
Metal Organic Frameworks ◽  
Current Status ◽  
Multifunctional Materials ◽  
Metal Organic ◽  
Lanthanide Metal ◽  
Solvent Adsorption

AbstractMicroporous metal-organic frameworks (MOFs) based on lanthanide metal ions or clusters represent a group of porous materials, featuring interesting coordination, electronic, and optical properties. These attractive properties in combination with the porosity make microporous lanthanide MOFs (Ln-MOFs) hold the promise for various applications. This review is to provide an overview of the current status of the research in microporous Ln-MOFs, and highlight their potential as types of multifunctional materials for applications in gas/solvent adsorption and separation, luminescence and chemical sensing and catalysis.

scholarly journals Innenrücktitelbild: Understanding CO2Dynamics in Metal-Organic Frameworks with Open Metal Sites (Angew. Chem. 16/2013)

2013 ◽  
Vol 125 (16) ◽  
pp. 4589-4589
Author(s):  
Li-Chiang Lin ◽  
Jihan Kim ◽  
Xueqian Kong ◽  
Eric Scott ◽  
Thomas M. McDonald ◽  
...  
Keyword(s):  
Metal Organic Frameworks ◽  
Open Metal Sites ◽  
Metal Organic
Sign in / Sign up

Export Citation Format

Share Document