scholarly journals Structure-versus-luminescence reversibility and solvent adsorption properties of a three-dimensional porous supramolecular metal–organic framework studied by synchrotron X-ray powder diffraction

2016 ◽  
Vol 72 (a1) ◽  
pp. s401-s401 ◽  
Author(s):  
Hwo-Shuenn Sheu ◽  
Yu-Chun Chuang ◽  
Chung-Kai Chang ◽  
Chih-Chieh Wang ◽  
Gia-Bin Sheu ◽  
...  
2014 ◽  
Vol 30 (1) ◽  
pp. 2-13 ◽  
Author(s):  
W. Wong-Ng ◽  
J.A. Kaduk ◽  
D.L. Siderius ◽  
A.L. Allen ◽  
L. Espinal ◽  
...  

Cu-paddle-wheel-based Cu3(BTC)2 (nicknamed Cu-BTC, where BTC ≡ benzene 1,3,5-tricarboxylate) is a metal organic framework (MOF) compound that adopts a zeolite-like topology. We have determined the pore-size distribution using the Gelb and Gubbins technique, the microstructure using small-angle neutron scattering and (ultra) small-angle X-ray scattering (USAXS\SAXS) techniques, and X-ray powder diffraction reference patterns for both dehydrated d-Cu-BTC [Cu3(C9H3O6)2] and hydrated h-Cu-BTC [Cu3(C9H3O6)2(H2O)6.96] using the Rietveld refinement technique. Both samples were confirmed to be cubic Fm$\bar 3$m (no. 225), with lattice parameters of a = 26.279 19(3) Å, V = 18 148.31(6) Å3 for d-Cu-BTC, and a = 26.3103(11) Å, and V = 18 213(2) Å3 for h-Cu-BTC. The structure of d-Cu-BTC contains three main pores of which the diameters are approximately, in decreasing order, 12.6, 10.6, and 5.0 Å. The free volume for d-Cu-BTC is approximately (71.85 ± 0.05)% of the total volume and is reduced to approximately (61.33 ± 0.03)% for the h-Cu-BTC structure. The d-Cu-BTC phase undergoes microstructural changes when exposed to moisture in air. The reference X-ray powder patterns for these two materials have been determined for inclusion in the Powder Diffraction File.


Author(s):  
Hong-Tao Zhang ◽  
Xiao-Long Wang

The design and synthesis of metal–organic frameworks (MOFs) have attracted much interest due to the aesthetics of their crystalline architectures and their potential applications as new functional materials. A new twofold interpenetrated three-dimensional (3D) MOF, namely, poly[[triaqua(μ4-(2R,2′R)-2,2′-{[1,4-phenylenebis(carbonyl)]bis(azanediyl)}dipropionato-κ7 O 1:O 1,O 1′:O 4:O 4,O 4′,O 4′′)(μ3-(2R,2′R)-2,2′-{[1,4-phenylenebis(carbonyl)]bis(azanediyl)}dipropionato-κ3 O 1:O 4:O 4)dicadmium(II)] dihydrate], {[Cd2(C14H14N2O6)2(H2O)3]·2H2O} n , (I), has been synthesized by the reaction of Cd(CH3COO)2·2H2O with the synthesized ligand (2R,2′R)-2,2′-{[1,4-phenylenebis(carbonyl)]bis(azanediyl)}dipropionic acid (H2 L). Single-crystal X-ray diffraction analysis reveals that the carboxylate groups from two crystallographically independent L 2− dianions link the cadmium cations into a one-dimensional helical secondary building unit (SBU). The resulting SBUs are extended into a 3D metal–organic framework via the terephthalamide moiety of the ligand as a spacer. In the crystal, two independent MOFs interpenetrate each other, thus producing a twofold interpenetrated 3D architecture, which shows an unprecedented 2-nodal (7,9)-connected net with the point (Schläfli) symbol (37·46·58)(38·411·516·6). MOF (I) was further characterized by elemental analysis, IR spectroscopy, powder X-ray diffraction and thermogravimetric analysis. The photoluminescence properties and UV–Vis absorption spectrum of (I) have also been investigated. The MOF exhibits enhanced fluorescence emission with a high photoluminescence quantum yield of 31.55% and a longer lifetime compared with free H2 L.


2013 ◽  
Vol 70 (1) ◽  
pp. 28-30 ◽  
Author(s):  
Hong Shen

In the title mixed-ligand metal–organic polymeric compound, {[Zn(C10H8O4)(C12H14N6)]·H2O}n, the asymmetric unit contains a divalent ZnIIcation lying on a twofold axis, one half of a fully deprotonated benzene-1,4-diacetate (PBEA) ligand, one half of a 1,4-bis[(1H-1,2,4-triazol-1-yl)methyl]benzene (BTX) ligand and a water molecule, also lying on a twofold axis. Each ZnIIcentre is surrounded by two O-donor atoms from monodentate carboxylate groups belonging to two different PBEA2−ligands and by two triazole N-donor atoms from two different BTX ligands. Single-crystal X-ray diffraction analysis revealed that the compound has a fivefold interpenetrating diamondoid three-dimensional metal–organic framework.


2019 ◽  
Vol 118 ◽  
pp. 01044
Author(s):  
Yu-Ling Li ◽  
Zin Zheng ◽  
Hui Nie ◽  
Chun-Mei Zhao ◽  
Yu-Fei Wang ◽  
...  

Metal-organic framework material [Cd(tib)(dnbpdc) (H2O)]·2DMF·2H2O (1) [tib = 1, 3, 5-tris(1-imidazolyl)benzene, H2dnbpdc = 2, 2′-dinitro-4, 4′-biphenyldicarboxylic acid] was synthesized and characterized by Thermogravimetric analyses (TGA), Powder X-ray diffraction (PXRD) analyses and Bruker D8 Advance X-ray diffractometer. The results showed that 1 was a 1D chain structure to be joined together by hydrogen bonds to generate a 3D supramolecular structure. CO2 and N2 adsorption behavior of the material was studied. It is significative that 1 can selective sorption of CO2.


2011 ◽  
Vol 66 (5) ◽  
pp. 533-537
Author(s):  
Can Ji ◽  
Shuang-Quan Zang ◽  
Jun-Yi Liu ◽  
Jia-Bin Li ◽  
Hong-Wei Hou

A new three-dimensional metal-organic framework {[Zn(mpda)0.5(bix)]·(H2O)1.5}n (1) (H4mpda = 1,2,3,4-benzenetetracarboxylic acid, m-bix = 1,3-bis(imidazol-1-ylmethyl)-benzene) has been synthesized and characterized by single-crystal X-ray diffraction and IR spectra. In 1, homochiral helical chains are formed in the Zn-mpda layer through spontaneous resolution by mpda4−. Such layers are further connected through the second m-bix ligand to form a 3D chiral metal-organic framework. The individual (4,4)-connected net in 1 can be specified by the Schläfli symbol (66)2(64.82). Bulk material of 1 has good second-harmonic generation (SHG) activity, approximately 0.4 times that of urea. In addition, a thermogravimetric analysis was carried out, and the photoluminescent behavior of the complex was also investigated


2019 ◽  
Vol 2019 ◽  
pp. 1-5 ◽  
Author(s):  
Yongting Zhao ◽  
Yiming Xie

A 3D metal-organic framework (MOF), Mn2L2(H2O)2 · (DMF) {H2L = 5- (Pyridin-2-yl)-3, 3′-bi (1H-1,2,4-triazole)} (1) with uncoordinated N-heteroatom sites, has been obtained through hydrothermal method and structurally characterized by X-ray structural analysis, powder X-ray diffraction (PXRD), and thermal analysis (TGA). The framework of compound 1 exhibits fascinating adsorption properties and shows high adsorption enthalpy of CO2. The experimental results prove which uncoordinated nitrogen heteroatom sites can markedly increase the reciprocity between host frame and CO2 at room temperature.


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