Paddle-Wheel Shaped Copper(II)-Adenine Discrete Entities As Supramolecular Building Blocks To Afford Porous Supramolecular Metal–Organic Frameworks (SMOFs)

2014 ◽  
Vol 14 (8) ◽  
pp. 4019-4029 ◽  
Author(s):  
Jintha Thomas-Gipson ◽  
Garikoitz Beobide ◽  
Oscar Castillo ◽  
Michael Fröba ◽  
Frank Hoffmann ◽  
...  
Keyword(s):  
Metal Organic Frameworks ◽  
Building Blocks ◽  
Paddle Wheel ◽  
Metal Organic

Syntheses, structures and properties of novel 3D lanthanide metal-organic frameworks with paddle-wheel building blocks

2008 ◽  
Vol 361 (7) ◽  
pp. 2115-2122 ◽  
Author(s):  
Li-Qiong Yu ◽  
Ru-Dan Huang ◽  
Yan-Qing Xu ◽  
Tian-Fu Liu ◽  
Wei Chu ◽  
...  
Keyword(s):  
Metal Organic Frameworks ◽  
Building Blocks ◽  
Paddle Wheel ◽  
Structures And Properties ◽  
Metal Organic ◽  
Lanthanide Metal

Dicarboxylate-bridged (Mo2)n (n = 2, 3, 4) paddle-wheel complexes: potential intermediate building blocks for metal–organic frameworks

2011 ◽  
Vol 40 (43) ◽  
pp. 11490 ◽  
Author(s):  
Mathias Köberl ◽  
Mirza Cokoja ◽  
Bettina Bechlars ◽  
Eberhardt Herdtweck ◽  
Fritz E. Kühn
Keyword(s):  
Metal Organic Frameworks ◽  
Building Blocks ◽  
Paddle Wheel ◽  
Metal Organic

Ligand Engineering in Cu(II) Paddle Wheel Metal-Organic Frameworks for Enhanced Electrical Conductivity

2020 ◽  
Author(s):  
Matthias Golomb ◽  
Joaquín Calbo ◽  
Jessica K. Bristow ◽  
Aron Walsh
Keyword(s):  
Charge Carrier ◽  
Carrier Mobility ◽  
Density Functional ◽  
Metal Organic Frameworks ◽  
Building Blocks ◽  
Charge Carrier Mobility ◽  
Functional Theory ◽  
Paddle Wheel ◽  
Metal Organic ◽  
Crystal Orbitals

We report the electronic structure of two metal-organic frameworks (MOFs) with copper paddle wheel nodes connected by a N<sub>2</sub>(C<sub>2</sub>H<sub>4</sub>)<sub>3</sub> (DABCO) ligand with accessible nitrogen lone pairs. The coordination is predicted, from first-principles density functional theory, to enable electronic pathways that could facilitate charge carrier mobility. Calculated frontier crystal orbitals indicate extended electronic communication in DMOF-1, but not in MOF-649. This feature is confirmed by bandstructure calculations and effective masses of the valence band egde. We explain the origin of the frontier orbitals of both MOFs based on the energy and symmetry alignment of the underlying building blocks. The effects of doping on the bandstructure of MOF-649 are considered. Our findings highlight DMOF-1 as a potential semiconductor with 1D charge carrier mobility along the framework

scholarly journals Ligand Engineering in Cu(II) Paddle Wheel Metal-Organic Frameworks for Enhanced Electrical Conductivity

2020 ◽  
Author(s):  
Matthias Golomb ◽  
Joaquín Calbo ◽  
Jessica K. Bristow ◽  
Aron Walsh
Keyword(s):  
Charge Carrier ◽  
Carrier Mobility ◽  
Density Functional ◽  
Metal Organic Frameworks ◽  
Building Blocks ◽  
Charge Carrier Mobility ◽  
Functional Theory ◽  
Paddle Wheel ◽  
Metal Organic ◽  
Crystal Orbitals

We report the electronic structure of two metal-organic frameworks (MOFs) with copper paddle wheel nodes connected by a N<sub>2</sub>(C<sub>2</sub>H<sub>4</sub>)<sub>3</sub> (DABCO) ligand with accessible nitrogen lone pairs. The coordination is predicted, from first-principles density functional theory, to enable electronic pathways that could facilitate charge carrier mobility. Calculated frontier crystal orbitals indicate extended electronic communication in DMOF-1, but not in MOF-649. This feature is confirmed by bandstructure calculations and effective masses of the valence band egde. We explain the origin of the frontier orbitals of both MOFs based on the energy and symmetry alignment of the underlying building blocks. The effects of doping on the bandstructure of MOF-649 are considered. Our findings highlight DMOF-1 as a potential semiconductor with 1D charge carrier mobility along the framework

Four metal–organic frameworks built from distinct secondary building blocks: Syntheses, structures, photoluminescence and photocatalytical properties

Polyhedron ◽  
2014 ◽  
Vol 70 ◽  
pp. 180-187 ◽  
Author(s):  
Peng Du ◽  
Yan Yang ◽  
Ying-Ying Liu ◽  
Yuan-Chun He ◽  
Hong-Mei Zhang ◽  
...  
Keyword(s):  
Metal Organic Frameworks ◽  
Building Blocks ◽  
Metal Organic

A Molecular Artisans Guide to Supramolecular Coordination Complexes and Metal Organic Frameworks

2015 ◽  
Vol 03 (01n02) ◽  
pp. 1540004 ◽  
Author(s):  
Xialu Wu ◽  
David J. Young ◽  
T. S. Andy Hor
Keyword(s):  
Chemical Reactivity ◽  
Metal Organic Frameworks ◽  
Building Blocks ◽  
Coordination Complexes ◽  
Large Molecules ◽  
Molecular Building Blocks ◽  
Supramolecular Coordination ◽  
Metal Organic ◽  
Molecular Synthesis ◽  
And Function

As molecular synthesis advances, we are beginning to learn control of not only the chemical reactivity (and function) of molecules, but also of their interactions with other molecules. It is this basic idea that has led to the current explosion of supramolecular science and engineering. Parallel to this development, chemists have been actively pursuing the design of very large molecules using basic molecular building blocks. Herein, we review the general development of supramolecular chemistry and particularly of two new branches: supramolecular coordination complexes (SCCs) and metal organic frameworks (MOFs). These two fields are discussed in detail with typical examples to illustrate what is now possible and what challenges lie ahead for tomorrow's molecular artisans.

Supermolecular Building Blocks (SBBs) for the Design and Synthesis of Highly Porous Metal-Organic Frameworks

2008 ◽  
Vol 130 (6) ◽  
pp. 1833-1835 ◽  
Author(s):  
Farid Nouar ◽  
Jarrod F. Eubank ◽  
Till Bousquet ◽  
Lukasz Wojtas ◽  
Michael J. Zaworotko ◽  
...  
Keyword(s):  
Metal Organic Frameworks ◽  
Porous Metal ◽  
Building Blocks ◽  
Design And Synthesis ◽  
Metal Organic ◽  
Highly Porous

scholarly journals In situ X-ray Diffraction Investigation of the Crystallisation of Perfluorinated Ce(IV)-based Metal-Organic Frameworks with UiO-66 and MIL-140 architectures

2020 ◽  
Author(s):  
Stephen Shearan ◽  
Jannick Jacobsen ◽  
Ferdinando Costantino ◽  
Roberto D’Amato ◽  
Dmitri Novikov ◽  
...  
Keyword(s):  
Crystal Growth ◽  
Metal Organic Frameworks ◽  
Building Blocks ◽  
Nucleation And Growth ◽  
X Ray Diffraction ◽  
X Ray ◽  
Rate Determining Step ◽  
Wide Range ◽  
Metal Organic

We report on the results of a thorough <i>in situ</i> synchrotron powder X-ray diffraction study of the crystallisation in aqueous medium of two recently discovered perfluorinated Ce(IV)-based metal-organic frameworks (MOFs), analogues of the already well investigated Zr(IV)-based UiO-66 and MIL-140A, namely, F4_UiO-66(Ce) and F4_MIL-140A(Ce). The two MOFs were originally obtained in pure form in similar conditions, using ammonium cerium nitrate and tetrafluoroterephthalic acid as building blocks, and small variations of the reaction parameters were found to yield mixed phases. Here, we investigate the crystallisation of these compounds <i>in situ</i> in a wide range of conditions, varying parameters such as temperature, amount of the protonation modulator nitric acid (HNO<sub>3</sub>) and amount of the coordination modulator acetic acid (AcOH). When only HNO<sub>3</sub> is present in the reaction environment, F4_MIL-140A(Ce) is obtained as a pure phase. Heating preferentially accelerates nucleation, which becomes rate determining below 57 °C, whereas the modulator influences nucleation and crystal growth to a similar extent. Upon addition of AcOH to the system, alongside HNO<sub>3</sub>, mixed-phased products, consisting of F4_MIL-140A(Ce) and F4_UiO-66(Ce), are obtained. In these conditions, F4_UiO-66(Ce) is always formed faster and no interconversion between the two phases occurs. In the case of F4_UiO-66(Ce), crystal growth is always the rate determining step. An increase in the amount of HNO<sub>3</sub> slows down both nucleation and growth rates for F4_MIL-140A(Ce), whereas nucleation is mainly affected for F4_UiO-66(Ce). In addition, a higher amount HNO<sub>3</sub> favours the formation of F4_MIL-140A(Ce). Similarly, increasing the amount of AcOH leads to slowing down of the nucleation and growth rate, but favours the formation of F4_UiO-66(Ce). The pure F4_UiO-66(Ce) phase could also be obtained when using larger amounts of AcOH in the presence of minimal HNO<sub>3</sub>. Based on these <i>in situ</i> results, a new optimised route to achieving a pure, high quality F4_MIL-140A(Ce) phase in mild conditions (60 °C, 1 h) is also identified.

Novel Metal-Organic Frameworks Incorporating [Cp°2Mo2P4S] (Cp° = 1-tBu-3,4-Me2C5H2), P4S3 and Cu2I2 Building Blocks (Eur. J. Inorg. Chem. 6/2011)

2011 ◽  
Vol 2011 (6) ◽  
pp. n/a-n/a
Author(s):  
Christian Gröger ◽  
Hans Robert Kalbitzer ◽  
Michael Pronold ◽  
Dmitry Piryazev ◽  
Manfred Scheer ◽  
...  
Keyword(s):  
Metal Organic Frameworks ◽  
Building Blocks ◽  
Metal Organic
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