Syntheses, Structure, and Properties of the Dimer Cu(DMAP)4(ClO4)2 (DMAP = 4-N, N-Dimethylaminopyridine)

2011 ◽  
Vol 688 ◽  
pp. 296-300 ◽  
Author(s):  
Li Wang ◽  
Dong Ping Sun
Keyword(s):  
Hydrogen Bonding ◽  
Rational Design ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
Supramolecular Systems ◽  
Coordination Networks ◽  
X Ray ◽  
Design And Synthesis ◽  
Infinite Network ◽  
Polymeric Coordination

The rational design and synthesis of discrete coordination architectures or polymeric coordination networks has received much attention recently, and hydrogen bonding andp-pstacking interactions are often employed in their construction. In this text, a strongly hydrogen-bonded dimer of the Cu(II) of 4-N, N-dimethylaminopyridine (DMAP), Cu(DMAP)4(ClO4)2, was synthesized and characterized by single crystal X-ray diffraction, UV-Vis and IR spectroscopy. X-ray analysis indicates that this compound is a dimer structure and the coordination geometries around the two Cu(II) centers could be described as distorted octahedrons. In addition, the ClO4-anions are involved in hydrogen bonding connecting the dimeric units to give a three dimensional infinite network. The extension of this work to a similar type of supramolecular systems may be fundamental to the study of the bonding interactions present in the solid state.

The crystal structure of gatehouseite

2011 ◽  
Vol 75 (6) ◽  
pp. 2823-2832
Author(s):  
P. Elliott ◽  
A. Pring
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Three Dimensional ◽  
Direct Methods ◽  
Chemical Analyses ◽  
X Ray Diffraction ◽  
X Ray ◽  
Manganese Phosphate ◽  
Phosphate Mineral ◽  
Unit Formula

AbstractThe crystal structure of the manganese phosphate mineral gatehouseite, ideally Mn52+(PO4)2(OH)4, space group P212121, a = 17.9733(18), b = 5.6916(11), c = 9.130(4) Å, V= 933.9(4) Å3, Z = 4, has been solved by direct methods and refined from single-crystal X-ray diffraction data (T = 293 K) to an R index of 3.76%. Gatehouseite is isostructural with arsenoclasite and with synthetic Mn52+(PO4)2(OH)4. The structure contains five octahedrally coordinated Mn sites, occupied by Mn plus very minor Mg with observed <Mn—O> distances from 2.163 to 2.239 Å. Two tetrahedrally coordinated P sites, occupied by P, Si and As, have <P—O> distances of 1.559 and 1.558 Å. The structure comprises two types of building unit. A strip of edge-sharing Mn(O,OH)6 octahedra, alternately one and two octahedra wide, extends along [010]. Chains of edge- and corner-shared Mn(O,OH)6 octahedra coupled by PO4 tetrahedra extend along [010]. By sharing octahedron and tetrahedron corners, these two units form a dense three-dimensional framework, which is further strengthened by weak hydrogen bonding. Chemical analyses by electron microprobe gave a unit formula of (Mn4.99Mg0.02)Σ5.01(P1.76Si0.07(As0.07)Σ2.03O8(OH)3.97.

Construction of a three-dimensional supramolecular framework based on an anionic cadmium(II) coordination network and protonated dipyridine organic cations

2018 ◽  
Vol 74 (8) ◽  
pp. 889-893
Author(s):  
Qian-Kun Zhou ◽  
Lin Wang ◽  
Dong Liu
Keyword(s):  
Hydrogen Bonding ◽  
Self Assembly ◽  
Title Compound ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
Hydrothermal Conditions ◽  
X Ray ◽  
Coordination Network ◽  
Hydrogen Bonding Interactions ◽  
Point Symbol

As a class of multifunctional materials, crystalline supramolecular complexes have attracted much attention because of their unique architectures, intriguing topologies and potential applications. In this article, a new supramolecular compound, namely catena-poly[4,4′-(buta-1,3-diene-1,4-diyl)dipyridin-1-ium [(μ4-benzene-1,2,4,5-tetracarboxylato-κ6 O 1,O 1′:O 2:O 4,O 4′:O 5)cadmium(II)]], {(C14H14N2)[Cd(C10H2O8)]} n or {(1,4-H2bpbd)[Cd(1,2,4,5-btc)]} n , has been prepared by the self-assembly of Cd(NO3)2·4H2O, benzene-1,2,4,5-tetracarboxylic acid (1,2,4,5-H4btc) and 1,4-bis(pyridin-4-yl)buta-1,3-diene (1,4-bpbd) under hydrothermal conditions. The title compound has been structurally characterized by IR spectroscopy, elemental analysis, powder X-ray diffraction and single-crystal X-ray diffraction analysis. Each CdII centre is coordinated by six O atoms from four different (1,2,4,5-btc)4− tetraanions. Each CdII cation, located on a site of twofold symmetry, binds to four carboxylate groups belonging to four separate (1,2,4,5-btc)4− ligands. Each (1,2,4,5-btc)4− anion, situated on a position of \overline{1} symmetry, binds to four crystallographically equivalent CdII centres. Neighbouring CdII cations interconnect bridging (1,2,4,5-btc)4− anions to form a three-dimensional {[Cd(1,2,4,5-btc)]2−} n anionic coordination network with infinite tubular channels. The channels are visible in both the [1\overline{1}0] and the [001] direction. Such a coordination network can be simplified as a (4,4)-connected framework with the point symbol (4284)(4284). To balance the negative charge of the metal–carboxylate coordination network, the cavities of the network are occupied by protonated (1,4-H2bpbd)2+ cations that are located on sites of twofold symmetry. In the crystal, there are strong hydrogen-bonding interactions between the anionic coordination network and the (1,4-H2bpbd)2+ cations. Considering the hydrogen-bonding interactions, the structure can be further regarded as a three-dimensional (4,6)-connected supramolecular architecture with the point symbol (4264)(42687·84). The thermal stability and photoluminescence properties of the title compound have been investigated.

Poly[[μ-(1-azaniumylethane-1,1-diyl)bis(hydrogen phosphonato)]sodium]: a powder X-ray diffraction study

2013 ◽  
Vol 69 (8) ◽  
pp. 815-818 ◽  
Author(s):  
Mwaffak Rukiah ◽  
Thaer Assaad
Keyword(s):  
Hydrogen Bonding ◽  
Rietveld Method ◽  
Three Dimensional ◽  
Coordination Geometry ◽  
Two Dimensional ◽  
X Ray Diffraction ◽  
X Ray ◽  
Dimensional Network ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral

The title two-dimensional coordination polymer, [Na(C2H8NO6P2)]n, was characterized using powder X-ray diffraction data and its structure refined using the Rietveld method. The asymmetric unit contains one Na+cation and one (1-azaniumylethane-1,1-diyl)bis(hydrogen phosphonate) anion. The central Na+cation exhibits distorted octahedral coordination geometry involving two deprotonated O atoms, two hydroxy O atoms and two double-bonded O atoms of the bisphosphonate anion. Pairs of sodium-centred octahedra share edges and the pairs are in turn connected to each other by the biphosphonate anion to form a two-dimensional network parallel to the (001) plane. The polymeric layers are connected by strong O—H...O hydrogen bonding between the hydroxy group and one of the free O atoms of the bisphosphonate anion to generate a three-dimensional network. Further stabilization of the crystal structure is achived by N—H...O and O—H...O hydrogen bonding.<!?tpb=18.7pt>

A new three-dimensional twofold interpenetrated cadmium(II) metal–organic framework: synthesis, structure and photoluminescence properties

2021 ◽  
Vol 77 (11) ◽  
Author(s):  
Hong-Tao Zhang ◽  
Xiao-Long Wang
Keyword(s):  
Metal Organic Framework ◽  
Three Dimensional ◽  
Fluorescence Emission ◽  
Functional Materials ◽  
Photoluminescence Properties ◽  
X Ray Diffraction ◽  
X Ray ◽  
Design And Synthesis ◽  
Metal Organic ◽  
Organic Framework

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.

A new heteroleptic oxalate-based compound: poly[[2-(aminomethyl)pyridine]di-μ6-oxalato-chromium(III)potassium(I)]

2013 ◽  
Vol 70 (1) ◽  
pp. 12-15 ◽  
Author(s):  
Patrice Kenfack Tsobnang ◽  
Emmanuel Wenger ◽  
Siméon Ponou ◽  
Slimane Dahaoui ◽  
John Lambi Ngolui ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Three Dimensional ◽  
Monoclinic Space Group ◽  
Two Dimensional ◽  
X Ray Diffraction ◽  
X Ray ◽  
Pyridine Ligands ◽  
Partial Overlap

The title compound, [KCr(C2O2)2(C6H8N2)]n, was obtained from aqueous solution and analyzed with single-crystal X-ray diffraction at 100 K. It crystallizes in the monoclinic space groupC2/cand displays a three-dimensional polymeric architecture built up by bimetallic oxalate-bridged CrIII–K helical chains linked through centrosymmetric K2O2units to yield a sheet-like alternatingP/Marrangement which looks like that of the previously described two-dimensional [NaCr(ox)2(pyim)(H2O)]·2H2O [pyim is 2-(pyridin-2-yl)imidazole; Leiet al.(2006).Inorg. Chem. Commun.9, 486–488]. The CrIIIions in each helix have the same chirality. The infinite neutral sheets are eclipsed with respect to each other and are held together by a hydrogen-bonding network involving 2-(aminomethyl)pyridine H atoms and oxalate O atoms. Each sheet gives rise to channels of Cr4K4octanuclear rings and each resultant hole is occupied by a pair of 2-(aminomethyl)pyridine ligands with partial overlap. The shortest Cr...Cr distance [5.593 (4) Å] is shorter than usually observed in the K–MIII–oxalate family.

Assembly of a Flexible 2,2ʹ-Oxydibenzoate and Silver(I) Ions to a Novel 3D Supramolecular Framework: Syntheses, Structure and Properties

2012 ◽  
Vol 67 (11) ◽  
pp. 1191-1196 ◽  
Author(s):  
Chong-Zhen Mei ◽  
Kai-Hui Li ◽  
Hai-Hua Li
Keyword(s):  
Hydrogen Bonding ◽  
Elemental Analysis ◽  
Self Assembly ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Supramolecular Architecture ◽  
Supramolecular Framework ◽  
Structure And Properties ◽  
X Ray Diffraction ◽  
X Ray

Self-assembly of silver(I) cations, flexible 2,2ʹ-oxydibenzoate anions (L2-), and 1,2-bis(4- pyridyl)ethane (bpa) ligands affords a new three-dimensional supramolecular architecture, {[Ag2(L)(bpa)2]⋅(H2O)4}n (1), which has been characterized by elemental analysis, IR, TGA, PXRD, and single-crystal X-ray diffraction. Complex 1exhibits layers further connected through hydrogen bonding and π...π stacking interactions. Its photoluminescence was also investigated.

scholarly journals The Effect of Molecular Isomerism on the Barrier Properties of Polyimides: Perspectives from Experiments and Simulations

Polymers ◽  
2021 ◽  
Vol 13 (11) ◽  
pp. 1749
Author(s):  
Yiwu Liu ◽  
Fengyun Xie ◽  
Jie Huang ◽  
Jinghua Tan ◽  
Chengliang Chen ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Positron Annihilation ◽  
High Performance ◽  
Barrier Properties ◽  
Chain Structure ◽  
X Ray Diffraction ◽  
Gas Barrier ◽  
X Ray ◽  
Design And Synthesis ◽  
Barrier Polymers

A novel carbazole-containing diamine (M-2,7-CPDA) isomer of our previously reported diamine 2,7-CPDA, has been synthesized using a two-step synthesis. Compared with 2,7-CPDA, the substituted position of amino is changed from para to meta for M-2,7-CPDA. The two diamines were polymerized with pyromellitic dianhydride (PMDA) to prepare two isomeric polyimides (M-2,7-CPPI and 2,7-CPPI), respectively. The effects of para/meta isomerism on microstructures and gas barrier performances of the two isomeric polyimides were studied by positron annihilation test, X-ray diffraction and molecular simulation. The results display that meta-connected M-2,7-CPPI has less ordered chain structure and weaker hydrogen bonding than para-connected 2,7-CPPI, which leads to loose chain stacking and thereby increased free volumes of M-2,7-CPPI. The higher free volumes promote the solubility and diffusivity of gas in M-2,7-CPPI. As a result, the meta-linked M-2,7-CPPI shows a lower gas barrier than its para-linked analog. The work provides guidance for the design and synthesis of high-performance barrier polymers.

Self-induced organic guest packed in three-dimensional architecture based on hetero-alkali metallic sulfonatothiacalix[4]arene

RSC Advances ◽  
2016 ◽  
Vol 6 (23) ◽  
pp. 19155-19159 ◽  
Author(s):  
Uma Maheswara Rao Kunda ◽  
Manabu Yamada ◽  
Hiroshi Katagiri ◽  
Fumio Hamada
Keyword(s):  
Hydrogen Bonding ◽  
Single Crystal ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
X Ray ◽  
Π Interactions ◽  
Π Stacking

Inclusion behavior of pyridine N-oxide in the cavity of hetero-alkali metallic sulfonatothaicalix[4]arene was studied by single crystal X-ray diffraction studies. π–π stacking, S–π interactions and hydrogen bonding were mainly supported this complex.

Construction of CuII Cluster-Based Magnetic Metal–Organic Framework Derived from a V-Shaped Aromatic Dicarboxylate Ligand

2015 ◽  
Vol 68 (3) ◽  
pp. 416 ◽  
Author(s):  
Yong-Qiang Chen ◽  
Yuan Tian ◽  
Jun Li
Keyword(s):  
Rational Design ◽  
Metal Organic Framework ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
Hydrothermal Conditions ◽  
X Ray ◽  
Magnetic Metal ◽  
Metal Organic ◽  
Coordination Framework ◽  
Systematic Synthesis

In our efforts towards rational design and systematic synthesis of cluster-based metal–organic frameworks, a new CuII coordination framework derived from the V-shaped aromatic dicarboxylate with formula [Cu4(µ4-O)(L)3]∞ (1), H2L = (4-phenyl)-2,6-bis(4-carboxyphenyl)pyridine) was synthesised under hydrothermal conditions and structurally characterised by single-crystal X-ray diffraction, powder X-ray diffraction, elemental analysis, and infrared spectroscopy. Structure analysis shows that complex 1 has a three-dimensional framework based on [Cu8] cluster with 8-connected bcu topology. Magnetic investigation suggests that anti-ferromagnetic coupling exists between CuII ions in the [Cu8] cluster.

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