Highly Connected Three-Dimensional Metal−Organic Frameworks Based on Polynuclear Secondary Building Units

2010 ◽  
Vol 10 (8) ◽  
pp. 3675-3684 ◽  
Author(s):  
Zhi Su ◽  
Shui-Sheng Chen ◽  
Jian Fan ◽  
Man-Sheng Chen ◽  
Yue Zhao ◽  
...  
Keyword(s):  
Metal Organic Frameworks ◽  
Three Dimensional ◽  
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.

Novel Ba2+ and Pb2+ metal–organic frameworks based on a semi-rigid tetracarboxylic acid: syntheses, structures, topologies and luminescence properties

2021 ◽  
Vol 77 (6) ◽  
Author(s):  
Yanwen Sun ◽  
Zhen Chen ◽  
Xiaozhong Wang ◽  
Lei Wang ◽  
Xue Yang ◽  
...  
Keyword(s):  
Self Assembly ◽  
Metal Organic Frameworks ◽  
Three Dimensional ◽  
Luminescence Properties ◽  
Tetracarboxylic Acid ◽  
X Ray Diffraction ◽  
X Ray ◽  
Secondary Building Units ◽  
Metal Organic ◽  
The Rich

Multidentate carboxylate ligands have been widely used in the construction of metal–organic frameworks (MOFs) owing to the rich variety of their coordination modes, which can lead to crystalline products with interesting structures and properties. Two new main-group MOFs, namely, poly[[di-μ-aqua-diaqua(dimethylformamide)[μ7-5,5′-methylenebis(2,4,6-trimethylbenzene-1,3-dicarboxylato)]dibarium(II)] trihydrate], {[Ba2(C23H20O8)(C3H7NO)(H2O)4]·3H2O} n or {[Ba2(BTMIPA)(DMF)(H2O)4]·3H2O} n (1), and poly[[diaqua[μ6-5,5′-methylenebis(2,4,6-trimethylbenzene-1,3-dicarboxylato)]dilead(II)] 2.5-hydrate], {[Pb2(C23H20O8)(H2O)2]·2.5H2O} n or {[Pb2(BTMIPA)(H2O)2]·2.5H2O} n (2), were prepared by the self-assembly of metal salts with the semi-rigid tetracarboxylic acid ligand 5,5′-methylenebis(2,4,6-trimethylisophthalic acid) (H4BTMIPA). Both structures were characterized by elemental analysis (EA), single-crystal X-ray diffraction, powder X-ray diffraction (PXRD), IR spectroscopy and thermogravimetric analysis (TGA). Complex 1 reveals a three-dimensional (3D) flu network formed via bridging tetranuclear secondary building units (SBUs) and complex 2 displays a 3D framework with an sqp topology based on one-dimensional metal chains. The BTMIPA4− ligands adopt a rare coordination mode in 2, although the ligands in both 1 and 2 are X-shaped. The luminescence properties of both complexes were investigated in the solid state.

scholarly journals Extending Libraries of Extremely Localized Molecular Orbitals to Metal Organic Frameworks: A Preliminary Investigation

Crystals ◽  
2021 ◽  
Vol 11 (2) ◽  
pp. 207
Author(s):  
Erna K. Wieduwilt ◽  
Giovanni Macetti ◽  
Rebecca Scatena ◽  
Piero Macchi ◽  
Alessandro Genoni
Keyword(s):  
Metal Organic Framework ◽  
Preliminary Investigation ◽  
Metal Organic Frameworks ◽  
Three Dimensional ◽  
Molecular Orbitals ◽  
Localized Molecular Orbitals ◽  
Starting Point ◽  
Secondary Building Units ◽  
Metal Organic ◽  
First Time

Libraries of extremely localized molecular orbitals (ELMOs) have been recently assembled to reconstruct approximate wavefunctions of very large biological systems, such as polypeptides and proteins. In this paper, we investigate for the first time the possibility of using ELMO transferability to also quickly obtain wavefunctions, electron densities, and electrostatic potentials of three-dimensional coordination polymers such as metal organic frameworks (MOFs). To accomplish this task, we propose a protocol that, in addition to exploiting the usual exportability of extremely localized molecular orbitals, also takes advantage of the novel QM/ELMO (quantum mechanics/extremely localized molecular orbital) approach to properly describe the secondary building units of MOFs. As a benchmark test, our technique has been applied to the well-known metal organic framework HKUST-1 ({Cu3(BTC)2}n, with BTC=1,3,5-benzenetricarboxylate) to quickly calculate electrostatic potential maps in the small and large cavities inside the network. On the basis of the obtained results, we envisage further improvements and applications of this strategy, which can be also seen as a starting point to perform less computationally expensive quantum mechanical calculations on metal organic frameworks with the goal of investigating transformation phenomena such as chemisorption.

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

A Novel (3,4,9)-Connected 3D Metal–Organic Framework Based on the Non-Planar Tricarboxyl Tecton and Zn5O4-Cluster SBU

2015 ◽  
Vol 68 (1) ◽  
pp. 161 ◽  
Author(s):  
Zhuo-Wei Wang ◽  
Hui Zhao ◽  
Min Chen ◽  
Min Hu
Keyword(s):  
Thermal Stability ◽  
Benzoic Acid ◽  
Metal Organic Framework ◽  
Three Dimensional ◽  
Crystalline Material ◽  
Tripodal Ligand ◽  
Secondary Building Units ◽  
Metal Organic ◽  
Organic Framework

Combination of a non-planar tripodal ligand 3,4-bi(4-carboxyphenyl)-benzoic acid (H3L) and Zn5O4-cluster secondary building units affords a highly connected three-dimensional metal–organic framework, {[Zn5(μ3-OH)3(μ2-OH)L2(H2O)2](H2O)2}n (1), which exhibits an unusual (3,4,9)-connected (42.5)(3.43.52)(32.45.511.613.73.82) topological net. The thermal stability and solid luminescence of the crystalline material have also been investigated.

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