ChemInform Abstract: Quantum-Chemical Characterization of the Properties and Reactivities of Metal-Organic Frameworks

ChemInform ◽  
2015 ◽  
Vol 46 (32) ◽  
pp. no-no
Author(s):  
Samuel O. Odoh ◽  
Christopher J. Cramer ◽  
Donald G. Truhlar ◽  
Laura Gagliardi
Keyword(s):  
Quantum Chemical ◽  
Metal Organic Frameworks ◽  
Chemical Characterization ◽  
Metal Organic

scholarly journals Quantum Chemical Characterization of Structural Single Fe(II) Sites in MIL-Type Metal–Organic Frameworks for the Oxidation of Methane to Methanol and Ethane to Ethanol

ACS Catalysis ◽  
2019 ◽  
Vol 9 (4) ◽  
pp. 2870-2879 ◽  
Author(s):  
Jenny G. Vitillo ◽  
Aditya Bhan ◽  
Christopher J. Cramer ◽  
Connie C. Lu ◽  
Laura Gagliardi
Keyword(s):  
Quantum Chemical ◽  
Metal Organic Frameworks ◽  
Chemical Characterization ◽  
Oxidation Of Methane ◽  
Metal Organic

scholarly journals Quantum-Chemical Characterization of the Properties and Reactivities of Metal–Organic Frameworks

2015 ◽  
Vol 115 (12) ◽  
pp. 6051-6111 ◽  
Author(s):  
Samuel O. Odoh ◽  
Christopher J. Cramer ◽  
Donald G. Truhlar ◽  
Laura Gagliardi
Keyword(s):  
Quantum Chemical ◽  
Metal Organic Frameworks ◽  
Chemical Characterization ◽  
Metal Organic

scholarly journals Machine learning the quantum-chemical properties of metal–organic frameworks for accelerated materials discovery

Matter ◽  
2021 ◽  
Author(s):  
Andrew S. Rosen ◽  
Shaelyn M. Iyer ◽  
Debmalya Ray ◽  
Zhenpeng Yao ◽  
Alán Aspuru-Guzik ◽  
...  
Keyword(s):  
Machine Learning ◽  
Quantum Chemical ◽  
Metal Organic Frameworks ◽  
Chemical Properties ◽  
Metal Organic

ChemInform Abstract: Synthesis, Structure Determination, and Quantum-Chemical Characterization of an Alternate HgNCN Polymorph.

ChemInform ◽  
2010 ◽  
Vol 33 (43) ◽  
pp. no-no
Author(s):  
Xiaohui Liu ◽  
Paul Mueller ◽  
Peter Kroll ◽  
Richard Dronskowski
Keyword(s):  
Structure Determination ◽  
Quantum Chemical ◽  
Chemical Characterization

Synthesis and Characterization of Lanthanide Metal-Organic Frameworks with Perfluorinated Linkers

2016 ◽  
Vol 98 ◽  
pp. 70-74
Author(s):  
Andrius Laurikėnas ◽  
Jurgis Barkauskas ◽  
Aivaras Kareiva
Keyword(s):  
Metal Organic Frameworks ◽  
Aqueous Media ◽  
Xrd Analysis ◽  
X Ray Diffraction ◽  
Lanthanide Elements ◽  
Diffusion Controlled ◽  
Benzenedicarboxylic Acid ◽  
Metal Organic ◽  
Lanthanide Metal

In this study, lanthanide elements (Ln3+) and 2,3,5,6-tetrafluoro-1,4-benzenedicarboxylic acid (TFBDC) based metal-organic frameworks (MOFs) were synthesized by precipitation and diffusion-controlled precipitation methods. Powders insoluble in aqueous media and polar solvents were obtained. The microstructure and properties of Ln3+ MOFs were evaluated and discussed. X-ray diffraction (XRD) analysis, infrared (FTIR) spectroscopy, scanning electron microscopy (SEM) and fluorescence spectroscopy (FLS) were carried out to characterize Ln3+ MOF's crystallinity, the microstructure, chemical composition and optical properties.

scholarly journals A Comparison of Barostats for the Mechanical Characterization of Metal–Organic Frameworks

2015 ◽  
Vol 11 (12) ◽  
pp. 5583-5597 ◽  
Author(s):  
S.M.J. Rogge ◽  
L. Vanduyfhuys ◽  
A. Ghysels ◽  
M. Waroquier ◽  
T. Verstraelen ◽  
...  
Keyword(s):  
Mechanical Characterization ◽  
Metal Organic Frameworks ◽  
Metal Organic

scholarly journals Quantum Chemical Characterization of Hydrogen Bonding Sites in Three 4-(4-Halo-Phenyl)-6-(Furan-2-yl) Pyrimidin-2-Amine Derivatives

2017 ◽  
Vol 05 (03) ◽  
pp. 91-102 ◽  
Author(s):  
Yafigui Traore ◽  
Kafoumba Bamba ◽  
Nahossé Ziao ◽  
Sopi Thomas Affi ◽  
Mamadou Guy-Richard Kone
Keyword(s):  
Hydrogen Bonding ◽  
Quantum Chemical ◽  
Chemical Characterization

scholarly journals STUDY OF SYNTHESIS AND CHARACTERIZATION OF METAL-ORGANIC FRAMEWORKS MOF-5 AS HYDROGEN STORAGE MATERIAL

2016 ◽  
Vol 12 (1) ◽  
pp. 14
Author(s):  
Prapti Rahayu ◽  
Witri Wahyu Lestari
Keyword(s):  
Hydrogen Storage ◽  
Metal Organic Frameworks ◽  
Synthesis Method ◽  
High Porosity ◽  
Hydrogen Storage Material ◽  
Storage Material ◽  
Good Thermal Stability ◽  
Metal Organic ◽  
Organic Linker

<p>Metal-organic frameworks (MOFs) are porous coordination polymer containing bi-or polidentate organic linker coordinated with inorganic part, such as metal oxide cluster or metal cation as node which called as secondary building unit (SBU) to form infinite structure. Due to high porosity and surface area, good thermal stability as well as the availability of unsaturated metal center or the linker influence attracts the interaction with gases, thus MOFs have potential to be applied as hydrogen storage material. One type of MOFs that have been widely studied is [Zn<sub>4</sub>O(benzene-1,4-dicarboxylate)<sub>3</sub>], namely, MOF-5.Various synthesis method have been developed to obtain optimum results. Characterization of MOF-5 from various synthesis method such as crystallinity, capacity, stability, and quantum dot behavior of MOF-5 have been summarized in this review.</p>

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