scholarly journals Proton transfer in hydrogen-bonded degenerate systems of water and ammonia in metal–organic frameworks

2019 ◽  
Vol 10 (1) ◽  
pp. 16-33 ◽  
Author(s):  
Dae-Woon Lim ◽  
Masaaki Sadakiyo ◽  
Hiroshi Kitagawa
Keyword(s):  
Proton Transfer ◽  
Metal Organic Frameworks ◽  
Proton Conductors ◽  
Degenerate System ◽  
New Class ◽  
System P ◽  
Metal Organic ◽  
Crystalline Metal ◽  
Hydrogen Bonded

Porous crystalline metal–organic frameworks (MOFs) are emerging as a new class of proton conductors through the hydrogen-bonded degenerate system.

scholarly journals Phosphinate MOF formed from tetratopic ligands as proton conductive materials

2021 ◽  
Author(s):  
Matouš Kloda ◽  
Tomáš Plecháček ◽  
Soňa Ondrušová ◽  
Petr Brázda ◽  
Petr Chalupský ◽  
...  
Keyword(s):  
Electron Diffraction ◽  
Proton Transfer ◽  
Rational Design ◽  
Metal Organic Frameworks ◽  
Adsorbed Water ◽  
Proton Conductors ◽  
Water Molecules ◽  
Conductive Materials ◽  
Grotthuss Mechanism ◽  
Metal Organic

Metal organic frameworks (MOFs) are attracting attention as potential proton conductors. There are two main advantages of MOFs in this application: the possibility of rational design and tuning of the properties, and clear conduction pathways given by their crystalline structure. We hereby present two new MOF structures, ICR-10 and ICR-11, based on tetratopic phosphinate ligands. The structures of both MOFs were determined by 3D electron diffraction. They both crystallize in the P-3 space group and contain arrays of parallel linear pores lined with hydrophilic non-coordinated phosphinate groups. This, together with the adsorbed water molecules, facilitates proton transfer via the Grotthuss mechanism, leading to the proton conductivity up to 4.26∙10-4 S cm-1 for ICR-11.

scholarly journals Exciton Coupling and Conformational Changes Impacting the Excited State Properties of Metal Organic Frameworks

Molecules ◽  
2020 ◽  
Vol 25 (18) ◽  
pp. 4230
Author(s):  
Andreas Windischbacher ◽  
Luca Steiner ◽  
Ritesh Haldar ◽  
Christof Wöll ◽  
Egbert Zojer ◽  
...  
Keyword(s):  
Conformational Changes ◽  
Photophysical Properties ◽  
Metal Organic Framework ◽  
Metal Organic Frameworks ◽  
Red Shift ◽  
Light Emitting ◽  
Light Emitting Devices ◽  
Exciton Coupling ◽  
Metal Organic ◽  
Crystalline Metal

In recent years, the photophysical properties of crystalline metal-organic frameworks (MOFs) have become increasingly relevant for their potential application in light-emitting devices, photovoltaics, nonlinear optics and sensing. The availability of high-quality experimental data for such systems makes them ideally suited for a validation of quantum mechanical simulations, aiming at an in-depth atomistic understanding of photophysical phenomena. Here we present a computational DFT study of the absorption and emission characteristics of a Zn-based surface-anchored metal-organic framework (Zn-SURMOF-2) containing anthracenedibenzoic acid (ADB) as linker. Combining band-structure and cluster-based simulations on ADB chromophores in various conformations and aggregation states, we are able to provide a detailed explanation of the experimentally observed photophysical properties of Zn-ADB SURMOF-2: The unexpected (weak) red-shift of the absorption maxima upon incorporating ADB chromophores into SURMOF-2 can be explained by a combination of excitonic coupling effects with conformational changes of the chromophores already in their ground state. As far as the unusually large red-shift of the emission of Zn-ADB SURMOF-2 is concerned, based on our simulations, we attribute it to a modification of the exciton coupling compared to conventional H-aggregates, which results from a relative slip of the centers of neighboring chromophores upon incorporation in Zn-ADB SURMOF-2.

Chemically reprogrammable metal organic frameworks (MOFs) based on Diels–Alder chemistry

2017 ◽  
Vol 53 (83) ◽  
pp. 11461-11464 ◽  
Author(s):  
Sana Nayab ◽  
Vanessa Trouillet ◽  
Hartmut Gliemann ◽  
Silvana Hurrle ◽  
Peter G. Weidler ◽  
...  
Keyword(s):  
Metal Organic Frameworks ◽  
Diels Alder ◽  
New Class ◽  
Metal Organic

We pioneer a new class of reprogrammable MOFs able to switch their interlattice chemistry via a facile Diels–Alder based cycloreversion process.

scholarly journals Reductive Electrosynthesis of Crystalline Metal–Organic Frameworks

2011 ◽  
Vol 133 (33) ◽  
pp. 12926-12929 ◽  
Author(s):  
Minyuan Li ◽  
Mircea Dincă
Keyword(s):  
Metal Organic Frameworks ◽  
Metal Organic ◽  
Crystalline Metal

cis-to-trans isomerization of azobenzene investigated by using thin films of metal–organic frameworks

2015 ◽  
Vol 17 (35) ◽  
pp. 22721-22725 ◽  
Author(s):  
Xiaojuan Yu ◽  
Zhengbang Wang ◽  
Maria Buchholz ◽  
Nena Füllgrabe ◽  
Sylvain Grosjean ◽  
...  
Keyword(s):  
Thin Films ◽  
Metal Organic Frameworks ◽  
Model System ◽  
Trans Isomerization ◽  
System P ◽  
Metal Organic

The energetic barrier for the cis-to-trans isomerization of azobenzene was experimentally investigated by using thin films of azobenzene-containing MOFs as well-defined model system.

scholarly journals Remarkable Pressure Responses of Metal–Organic Frameworks: Proton Transfer and Linker Coiling in Zinc Alkyl Gates

2014 ◽  
Vol 136 (32) ◽  
pp. 11540-11545 ◽  
Author(s):  
Aurélie U. Ortiz ◽  
Anne Boutin ◽  
Kevin J. Gagnon ◽  
Abraham Clearfield ◽  
François-Xavier Coudert
Keyword(s):  
Proton Transfer ◽  
Metal Organic Frameworks ◽  
Metal Organic

A robust ethane-selective hypercrosslinked porous organic adsorbent with high ethane capacity

2022 ◽  
Author(s):  
Hyein Park ◽  
Minjung Kang ◽  
Dong Won Kang ◽  
Chang Seop Hong
Keyword(s):  
Porous Materials ◽  
Metal Organic Frameworks ◽  
Covalent Organic Frameworks ◽  
Separation Technology ◽  
Preferential Adsorption ◽  
Metal Organic ◽  
Hydrogen Bonded

While preferential adsorption of ethane (C2H6) over ethylene (C2H4) is more advantageous in industrial separation technology, most porous materials such as metal-organic frameworks, covalent-organic frameworks, and hydrogen-bonded organic frameworks provide...

Polarity‐Induced Excited‐State Intramolecular Proton Transfer (ESIPT) in a Pair of Supramolecular Isomeric Multifunctional Dynamic Metal–Organic Frameworks

2019 ◽  
Vol 25 (52) ◽  
pp. 12196-12205 ◽  
Author(s):  
Arijit Halder ◽  
Biswajit Bhattacharya ◽  
Fazle Haque ◽  
Susanta Dinda ◽  
Debajyoti Ghoshal
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Metal Organic Frameworks ◽  
Intramolecular Proton Transfer ◽  
Metal Organic
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