Two new three-dimensional metal–organic frameworks with 4-connected diamondoid and unusual (6,16)-connected net topologies based on planar tetranuclear squares as secondary building units

CrystEngComm ◽  
2016 ◽  
Vol 18 (7) ◽  
pp. 1174-1183 ◽  
Author(s):  
Song-Liang Cai ◽  
Sheng-Run Zheng ◽  
Jun Fan ◽  
Rong-Hua Zeng ◽  
Wei-Guang Zhang
2020 ◽  
Vol 8 (4) ◽  
pp. 1374-1379 ◽  
Author(s):  
Yutong Wang ◽  
Kai Zhang ◽  
Xiaokang Wang ◽  
Xuelian Xin ◽  
Xiurong Zhang ◽  
...  

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.


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

Author(s):  
Yanwen Sun ◽  
Zhen Chen ◽  
Xiaozhong Wang ◽  
Lei Wang ◽  
Xue Yang ◽  
...  

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.


Crystals ◽  
2021 ◽  
Vol 11 (2) ◽  
pp. 207
Author(s):  
Erna K. Wieduwilt ◽  
Giovanni Macetti ◽  
Rebecca Scatena ◽  
Piero Macchi ◽  
Alessandro Genoni

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.


2021 ◽  
Author(s):  
Xinyao Liu ◽  
Yunling Liu

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 ◽  
2009 ◽  
Vol 40 (29) ◽  
Author(s):  
David J. Tranchemontagne ◽  
Jose L. Mendoza-Cortes ◽  
Michael O'Keeffe ◽  
Omar M. Yaghi

2015 ◽  
Vol 68 (1) ◽  
pp. 161 ◽  
Author(s):  
Zhuo-Wei Wang ◽  
Hui Zhao ◽  
Min Chen ◽  
Min Hu

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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