scholarly journals Synthesis, structure and water sorption in Zr metal-organic frameworks

2014 ◽  
Vol 70 (a1) ◽  
pp. C1240-C1240
Author(s):  
Felipe Gándara ◽  
Hiroyasu Furukawa ◽  
Zhang Yue-Biao ◽  
Juncong Jiang ◽  
Wendy Queen ◽  
...  
Keyword(s):  
Water Adsorption ◽  
Metal Organic Frameworks ◽  
Adsorbed Water ◽  
Neutron Diffraction Study ◽  
Water Molecules ◽  
Remote Areas ◽  
Adsorption Sites ◽  
Thermal Batteries ◽  
Secondary Building Units ◽  
Metal Organic

Metal-organic frameworks (MOFs) based on zirconium secondary building units (SBUs) have proven to have great thermal and chemical stability,[1,2] which make them ideal for their use in different applications. We have prepared a series of six new MOFs made from the Zr6O4(OH)4(-CO2)nsecondary building units (n = 6, 8, 10, or 12) and variously shaped carboxyl organic linkers to make extended porous frameworks, with the aim of studying their performance as water adsorbents. Thus, we have evaluated the water adsorption properties of these new MOFs and other reported porous materials to identify the compounds with the most promising materials for use in applications such as thermal batteries or delivery of drinking water in remote areas. An X-ray single-crystal and a powder neutron diffraction study reveal the position of the water adsorption sites in one of the best performing materials, and highlight the importance of the intermolecular interactions between adsorbed water molecules within the pores.

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 Failure-experiment-supported optimization of poorly reproducible synthetic conditions for novel lanthanide metal-organic frameworks with two-dimensional secondary building units

2021 ◽  
Author(s):  
Yu Kitamura ◽  
Emi Terado ◽  
Zechen Zhang ◽  
Hirofumi Yoshikawa ◽  
Tomoko Inose ◽  
...  
Keyword(s):  
Machine Learning ◽  
Water Adsorption ◽  
Metal Organic Frameworks ◽  
Machine Learning Techniques ◽  
Initial Screening ◽  
Screening Experiments ◽  
Learning Techniques ◽  
Secondary Building Units ◽  
Metal Organic ◽  
Lanthanide Metal

A series of novel metal organic frameworks with lanthanide double-layer-based inorganic subnetworks (KGF-3) was synthesized assisted by machine learning. Pure KGF-3 was difficult to isolate in the initial screening experiments. The synthetic conditions were successfully optimized by extracting the dominant factors for KGF-3 synthesis using two machine-learning techniques. Cluster analysis was used to classify the obtained PXRD patterns of the products and to decide automatically whether the experiments were successful or had failed. Decision tree analysis was used to visualize the experimental results, with the factors that mainly affected the synthetic reproducibility being extracted. The water adsorption isotherm revealed that KGF-3 possesses unique hydrophilic pores, and impedance measurements demonstrated good proton conductivities (σ = 5.2 × 10<sup>−4</sup> S cm<sup>−1</sup> for KGF-3(Y)) at a high temperature (363 K) and high relative humidity (95%).<br>

scholarly journals Design of Porous Metal-Organic Frameworks for Adsorption Driven Thermal Batteries

MRS Advances ◽  
2017 ◽  
Vol 2 (9) ◽  
pp. 519-524 ◽  
Author(s):  
Daiane Damasceno Borges ◽  
Guillaume Maurin ◽  
Douglas S. Galvão
Keyword(s):  
Water Adsorption ◽  
Metal Organic Frameworks ◽  
High Energy ◽  
High Energy Density ◽  
Working Fluid ◽  
Large Variability ◽  
Promising Alternative ◽  
Topological Features ◽  
Thermal Batteries ◽  
Metal Organic

ABSTRACTThermal batteries based on a reversible adsorption/desorption of a working fluid (water, methanol, ammonia) rather than the conventional vapor compression is a promising alternative to exploit waste thermal energy for heat reallocation. In this context, there is an increasing interest to find novel porous solids able to adsorb a high energy density of working fluid under low relative vapor pressure condition combined with an easy ability of regeneration (desorption) at low temperature, which are the major requirements for adsorption driven heat pumps and chillers. The porous crystalline hybrid materials named Metal–Organic Frameworks (MOF) represent a great source of inspiration for sorption based-applications owing to their tunable chemical and topological features associated with a large variability of pore sizes. Recently, we have designed a new MOF named MIL-160 (MIL stands for Materials of Institut Lavoisier), isostructural to CAU-10, built from the assembly of corner sharing aluminum chains octahedra AlO4(OH)2 with the 2,5-furandicarboxylic linker substituting the pristine organic linker, 1,4-benzenedicarboxylate. This ligand replacement strategy proved to enhance both the hydrophilicity of the MOF and its amount of water adsorbed at low p/p0. This designed solid was synthesized and its chemical stability/adsorption performances verified. Here, we have extended this study by incorporating other polar heterocyclic linkers and a comparative computational study of the water adsorption performances of these novel structures has been performed. To that purpose, the cell and geometry optimizations of all hypothetical frameworks were first performed at the density functional theory level and their water adsorption isotherms were further predicted by using force-field based Grand-Canonical Monte Carlo simulations. This study reveals the ease tunable water affinity of MOF for the desired application.

scholarly journals Failure-experiment-supported optimization of poorly reproducible synthetic conditions for novel lanthanide metal-organic frameworks with two-dimensional secondary building units

2021 ◽  
Author(s):  
Yu Kitamura ◽  
Emi Terado ◽  
Zechen Zhang ◽  
Hirofumi Yoshikawa ◽  
Tomoko Inose ◽  
...  
Keyword(s):  
Machine Learning ◽  
Water Adsorption ◽  
Metal Organic Frameworks ◽  
Machine Learning Techniques ◽  
Initial Screening ◽  
Screening Experiments ◽  
Learning Techniques ◽  
Secondary Building Units ◽  
Metal Organic ◽  
Lanthanide Metal

A series of novel metal organic frameworks with lanthanide double-layer-based inorganic subnetworks (KGF-3) was synthesized assisted by machine learning. Pure KGF-3 was difficult to isolate in the initial screening experiments. The synthetic conditions were successfully optimized by extracting the dominant factors for KGF-3 synthesis using two machine-learning techniques. Cluster analysis was used to classify the obtained PXRD patterns of the products and to decide automatically whether the experiments were successful or had failed. Decision tree analysis was used to visualize the experimental results, with the factors that mainly affected the synthetic reproducibility being extracted. The water adsorption isotherm revealed that KGF-3 possesses unique hydrophilic pores, and impedance measurements demonstrated good proton conductivities (σ = 5.2 × 10<sup>−4</sup> S cm<sup>−1</sup> for KGF-3(Y)) at a high temperature (363 K) and high relative humidity (95%).<br>

Recent progress in the design and synthesis of zeolite-like metal–organic frameworks (ZMOFs)

2021 ◽  
Author(s):  
Xinyao Liu ◽  
Yunling Liu
Keyword(s):  
Building Block ◽  
High Stability ◽  
Recent Progress ◽  
Metal Organic Frameworks ◽  
Excellent Performance ◽  
Design And Synthesis ◽  
Molecular Building Block ◽  
Secondary Building Units ◽  
Metal Organic

ZMOFs are a subset of MOFs that exhibit zeolite-like topologies. Using molecular building block strategy, many ZMOFs with high stability and excellent performance can be rationally designed and synthesized using different secondary building units.

ChemInform Abstract: Secondary Building Units, Nets and Bonding in the Chemistry of Metal-Organic Frameworks

ChemInform ◽  
2009 ◽  
Vol 40 (29) ◽  
Author(s):  
David J. Tranchemontagne ◽  
Jose L. Mendoza-Cortes ◽  
Michael O'Keeffe ◽  
Omar M. Yaghi
Keyword(s):  
Metal Organic Frameworks ◽  
Secondary Building Units ◽  
Metal Organic

scholarly journals Calorimetric and Spectroscopic Studies of Water Adsorption onto Alkaline Earth Fluorides

2005 ◽  
Vol 23 (6) ◽  
pp. 425-436
Author(s):  
Toshinori Mori ◽  
Yasushige Kuroda ◽  
Ryotaro Kumashiro ◽  
Koji Hirata ◽  
Hidehiro Toyota ◽  
...  
Keyword(s):  
Alkaline Earth ◽  
Water Adsorption ◽  
Adsorbed Water ◽  
Spectroscopic Studies ◽  
Water Molecules ◽  
Earth Fluoride ◽  
Alkaline Earth Fluoride ◽  
Pretreatment Temperature ◽  
Argon Adsorption ◽  
Ir Bands

Interactions between the surfaces of alkaline earth fluorides (CaF2, SrF2 and BaF2) and water molecules were investigated by calorimetric and spectroscopic methods. The exposed surfaces of the alkaline earth fluoride samples, with which the (100) crystalline plane is mainly associated, were found to be fully covered with strongly adsorbed water molecules, resulting in characteristic IR bands at 3684, 2561, 1947 and 1000 cm−1, respectively. This surface was homogeneous towards further water adsorption. The strongly adsorbed water molecules were almost completely desorbed from the surface on evacuating the sample up to 473 K. The heat of immersion in water also increased with increasing pretreatment temperature; this may be attributed to surface rehydration of the alkaline earth fluorides. The state of the surface changed drastically as the pretreatment temperature was increased and stabilized towards incoming water molecules. Thus, the surface formed after evacuation at temperatures greater than 473 K was resistant to hydration even after immersion in water at room temperature. This surface was relatively heterogeneous towards water adsorption, although it behaved homogeneously towards argon adsorption. These facts indicate that strongly adsorbed water molecules appear to be somewhat specific towards the adsorption of further incoming water molecules. The adsorption properties of the (100) plane of alkaline earth fluorides towards water and argon molecules depend strongly on both the electrostatic field strength and the extent of rehydration of the alkaline earth fluoride surface.

Tuning water adsorption, stability, and phase in Fe-MIL-101 and Fe-MIL-88 analogs with amide functionalization

2021 ◽  
Author(s):  
Andrew Kuznicki ◽  
Gregory Lorzing ◽  
Eric D Bloch
Keyword(s):  
Water Adsorption ◽  
Metal Organic Frameworks ◽  
High Tunability ◽  
Metal Organic

Metal-organic frameworks (MOFs) of the MIL series of materials have been widely studied as a result of their high tunability and the diversity of structure types that exist for these...

Intrinsic White‐Light‐Emitting Metal–Organic Frameworks with Structurally Deformable Secondary Building Units

2019 ◽  
Vol 58 (23) ◽  
pp. 7818-7822 ◽  
Author(s):  
Chengdong Peng ◽  
Xueling Song ◽  
Jinlin Yin ◽  
Guiyang Zhang ◽  
Honghan Fei
Keyword(s):  
White Light ◽  
Metal Organic Frameworks ◽  
Light Emitting ◽  
Secondary Building Units ◽  
Metal Organic

Accurate tuning of rare earth metal–organic frameworks with unprecedented topology for white-light emission

2020 ◽  
Vol 8 (4) ◽  
pp. 1374-1379 ◽  
Author(s):  
Yutong Wang ◽  
Kai Zhang ◽  
Xiaokang Wang ◽  
Xuelian Xin ◽  
Xiurong Zhang ◽  
...  
Keyword(s):  
White Light ◽  
Light Emission ◽  
Metal Organic Frameworks ◽  
Three Dimensional ◽  
Earth Metal ◽  
White Light Emission ◽  
One Dimensional ◽  
1D Chain ◽  
Secondary Building Units ◽  
Metal Organic

An unprecedented three-dimensional (3D) (3,4,5)-czkf topological framework (UPC-38) with one-dimensional (1D) chain secondary building units exhibits strong white light emission.

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