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1.
The title compound, [Cd(C10H8O4)(C8H12N6)]n, crystallizes with an asymmetric unit comprising a divalent CdII atom, a benzene‐1,4‐diacetate (PBEA2−) ligand and a complete 1,4‐bis(1,2,4‐triazol‐1‐yl)butane (BTB) ligand. [Cd(PBEA)]n double chains, arranged parallel to the c axis, are formed through an exo‐tridentate binding mode of the PBEA2− ligands. These [Cd(PBEA)]n double chains are pillared by tethering BTB ligands, in which the BTB shows a transtranstrans conformation, to establish [Cd(PBEA)(BTB)]n two‐dimensional coordination polymer (4,4)‐layer slab patterns. The three‐dimensional supramolecular architecture is formed by C—H...O hydrogen bonds and C—H...π interactions.  相似文献   

2.
In the title mixed‐ligand metal–organic polymeric compound, [Cd(C10H8O4)(C8H12N6)]n or [Cd(PBEA)(BTB)]n [H2PBEA is benzene‐1,4‐diacetic acid and BTB is 1,4‐bis(1,2,4‐triazol‐1‐yl)butane], the asymmetric unit contains one CdII ion, one BTB molecule and one PBEA2− anion. The CdII ion is in a slightly distorted pentagonal–bipyramidal geometry, coordinated by five carboxylate O atoms from three distinct PBEA2− anions and by two BTB N atoms. There are two coordination patterns for the carboxylate groups of the PBEA2− ligand, one being a μ1‐η11 chelating mode and the other a μ2‐η21 bridging mode, while the BTB molecule shows a transtranstrans conformation. The crystal structure is constructed from the secondary building unit (SBU) [Cd2(CO2)4N2O2], in which the two metal centres are held together by two PBEA2− linkers. The SBU is connected by BTB and PBEA2− bridges to form a two‐dimensional grid‐like (4,4) layer with meshes of dimensions 14.69 × 11.28 Å.  相似文献   

3.
The CdII three‐dimensional coordination poly[[[μ4‐1,4‐bis(1,2,4‐triazol‐1‐yl)but‐2‐ene]bis(μ3‐5‐carboxybenzene‐1,3‐dicarboxylato)dicadmium(II)] dihydrate], {[Cd2(C9H4O6)2(C8H10N6)]·2H2O}n , (I), has been synthesized by the hydrothermal reaction of Cd(NO3)2·4H2O, benzene‐1,3,5‐tricarboxylic acid (1,3,5‐H3BTC) and 1,4‐bis(1,2,4‐triazol‐1‐yl)but‐2‐ene (1,4‐btbe). The IR spectrum suggests the presence of protonated carboxylic acid, deprotonated carboxylate and triazolyl groups. The purity of the bulk sample was confirmed by elemental analysis and X‐ray powder diffraction. Single‐crystal X‐ray diffraction analysis reveals that the CdII ions adopt a five‐coordinated distorted trigonal–bipyramidal geometry, coordinated by three O atoms from three different 1,3,5‐HBTC2− ligands and two N atoms from two different 1,4‐btbe ligands; the latter are situated on centres of inversion. The CdII centres are bridged by 1,3,5‐HBTC2− and 1,4‐btbe ligands into an overall three‐dimensional framework. When the CdII centres and the tetradentate 1,4‐btbe ligands are regarded as nodes, the three‐dimensional topology can be simplified as a binodal 4,6‐connected network. Thermogravimetric analysis confirms the presence of lattice water in (I). Photoluminescence studies imply that the emission of (I) may be ascribed to intraligand fluorescence.  相似文献   

4.
The title compound, {[Zn4(C8H4O4)3(OH)2(C12H6N2O2)2]·2H2O}n, has been prepared hydrothermally by the reaction of Zn(NO3)2·6H2O with benzene‐1,4‐dicarboxylic acid (H2bdc) and 1,10‐phenanthroline‐5,6‐dione (pdon) in H2O. In the crystal structure, a tetranuclear Zn4(OH)2 fragment is located on a crystallographic inversion centre which relates two subunits, each containing a [ZnN2O4] octahedron and a [ZnO4] tetrahedron bridged by a μ3‐OH group. The pdon ligand chelates to zinc through its two N atoms to form part of the [ZnN2O4] octahedron. The two crystallographically independent bdc2− ligands are fully deprotonated and adopt μ3‐κOO′:κO′′ and μ4‐κOO′:κO′′:κO′′′ coordination modes, bridging three or four ZnII cations, respectively, from two Zn4(OH)2 units. The Zn4(OH)2 fragment connects six neighbouring tetranuclear units through four μ3‐bdc2− and two μ4‐bdc2− ligands, forming a three‐dimensional framework with uninodal 6‐connected α‐Po topology, in which the tetranuclear Zn4(OH)2 units are considered as 6‐connected nodes and the bdc2− ligands act as linkers. The uncoordinated water molecules are located on opposite sides of the Zn4(OH)2 unit and are connected to it through hydrogen‐bonding interactions involving hydroxide and carboxylate groups. The structure is further stabilized by extensive π–π interactions between the pdon and μ4‐bdc2− ligands.  相似文献   

5.
In the title mixed‐ligand metal–organic polymeric complex, {[Co(NCS)2(C8H12N6)2]·2H2O}n, the asymmetric unit contains a divalent CoII cation, which sits on an inversion centre, two halves of two crystallographically distinct and centrosymmetric 1,4‐bis(1,2,4‐triazol‐1‐yl)butane (BTB) ligands, one N‐bound thiocyanate ligand and one solvent water molecule. The CoII atom possesses a distorted {CoN6} octahedral geometry, with the equatorial positions taken up by triazole N atoms from four different BTB ligands. The axial positions are filled by thiocyanate N atoms. In the crystal, each CoII atom is linked covalently to four others through the distal donors of the tethering BTB ligands, forming a neutral (4,4)‐topology two‐dimensional rhomboid grid layer motif, which is coincident with the (11) crystal planes. Magnetic investigations show that weak antiferromagnetic coupling exists between CoII atoms in the complex.  相似文献   

6.
Photocatalysis is a green technology for the treatment of all kinds of contaminants and has advantages over other treatment methods. Recently, much effort has been devoted to developing new photocatalytic materials based on metal–organic frameworks for use in the degradation of many kinds of organic contaminants. With the aim of searching for more effective photocatalysts, the title three‐dimensional coordination polymer, [Cd2(C8H4O4)2(C18H16N2O2)]n, was prepared. The asymmetric unit contains one CdII cation, one benzene‐1,2‐dicarboxylate anion (denoted L2−) and half of a centrosymmetric 1,4‐bis(pyridin‐3‐ylmethoxy)benzene ligand (denoted bpmb). Each CdII centre is five‐coordinated by four carboxylate O atoms from two L2− ligands and by one N atom from a bpmb ligand, forming a disordered pentagonal pyramidal coordination geometry. The CdII centres are interlinked by L2− ligands to form a one‐dimensional [Cd2L2]n chain. Adjacent chains are further connected by bpmb linkers, giving rise to a two‐dimensional network, and these networks are pillared by bpmb to afford a three‐dimensional framework with a 33.42.63.71.81 topology. Each grid in the framework has large channels which are filled mainly by the two other equivalent frameworks to form a threefold interpenetrating net. The compound exhibits relatively good photocatalytic activity towards the degradation of methylene blue in aqueous solution under UV irradiation.  相似文献   

7.
In the title complex, poly[copper(II)‐di‐μ2‐thio­cyanato‐μ2‐1,4‐bis­(1,2,4‐triazol‐1‐ylmeth­yl)benzene], [Cu(NCS)2(C12H12N6)]n, the CuII atom lies on an inversion centre in a tetra­gonally distorted octa­hedral environment. Four N atoms from thio­cyanate and 1,4‐bis­(1,2,4‐triazol‐1‐ylmeth­yl)benzene (bbtz) ligands fill the equatorial positions, and S atoms from symmetry‐related thio­cyanate ligands fill the axial positions. The benzene ring of the bbtz ligand lies about an inversion centre. Single thio­cyanate bridges link the CuII atoms into two‐dimensional sheets containing an unprecedented 16‐membered [Cu4(μ‐NCS‐N:S)4] ring. The bbtz ligands further link the two‐dimensional sheets into a three‐dimensional network.  相似文献   

8.
In the title coordination compound, [Cd(C8H3NO6)(C5H8N3)0.5(H2O)]n, each CdII atom is six‐coordinated in a distorted octahedral environment surrounded by three carboxylate O atoms from two different 5‐nitroisophthalate (5‐NIP2−) ligands, two N atoms from two distinct 1,6‐bis(1,2,4‐triazol‐1‐yl)hexane (bth) ligands and one water molecule. The CdII centres are bridged by the bth ligands, which lie across centres of inversion, to give a honeycomb‐like two‐dimensional layer structure; the layers are further connected by the bridging 5‐NIP2− ligands with a κ21‐μ2 coordination mode to generate the final three‐dimensional structure. Topologically, taking the the CdII atoms and the bth ligands as different four‐connected nodes and the 5‐NIP2− ligands as linkers, the three‐dimensional structure can be simplified to a rare `mesh of trees' (mot) net with the Schäfli symbol (66)(64.82)2.  相似文献   

9.
Coordination polymers (CPs) have been widely studied because of their diverse and adjustable topologies and wide‐ranging applications in luminescence, chemical sensors, magnetism, photocatalysis, gas adsorption and separation. In the present work, two coordination polymers, namely poly[(μ5‐benzene‐1,3,5‐tricarboxylato‐κ6O1:O1′:O3:O3:O5,O5′){μ3‐1,3‐bis[(1,2,4‐triazol‐4‐yl)methyl]benzene‐κ3N:N′:N′′}di‐μ3‐hydroxido‐dicobalt(II)], [Co2(C9H3O6)(OH)(C12H12N6)]n or [Co2(btc)(OH)(mtrb)]n, (1), and poly[[diaquabis(μ3‐benzene‐1,3,5‐tricarboxylato‐κ3O1:O3:O5)bis{μ3‐1,3‐bis[(1,2,4‐triazol‐4‐yl)methyl]benzene‐κ3N:N′:N′′}tetra‐μ3‐hydroxido‐tetracopper(II)] monohydrate], {[Cu4(C9H3O6)2(OH)2(C12H12N6)2(H2O)2]·H2O}n or {[Cu4(btc)2(OH)2(mtrb)2(H2O)2]·H2O}n, (2), were synthesized by the hydrothermal method using 1,3‐bis[(1,2,4‐triazol‐4‐yl)methyl]benzene (mtrb) and benzene‐1,3,5‐tricarboxylate (btc3?). CP (1) exhibits a (3,8)‐coordinated three‐dimensional (3D) network of the 3,8T38 topological type, with a point symbol of {4,5,6}2{42·56·616·72·82}, based on the tetranuclear hydroxide cobalt(II) cluster [Co43‐OH)2]. CP (2) shows a (3,8)‐coordinated tfz‐d topology, with a point symbol of {43}2{46·618·84}, based on the tetranuclear hydroxide copper(II) cluster [Cu43‐OH)2]. The different (3,8)‐coordinated 3D networks based on tetranuclear hydroxide–metal clusters of (1) and (2) are controlled by the different central metal ions [CoII for (1) and CuII for (2)]. The thermal stabilities and solid‐state optical diffuse‐reflection spectra were measured. The energy band gaps (Eg) obtained for (1) and (2) were 2.72 and 2.29 eV, respectively. CPs (1) and (2) exhibit good photocatalytic degradation of the organic dyes methylene blue (MB) and rhodamine B (RhB) under visible‐light irradiation.  相似文献   

10.
The title CdII coordination polymer, [Cd(C10H8O4)(C12H12N6)0.5(H2O)]n, has been obtained by the hydrothermal method and studied by single‐crystal X‐ray diffraction, elemental analysis, thermogravimetric analysis, IR spectroscopy and fluorescence spectroscopy. The compound forms a novel three‐dimensional framework with 3,8‐connected three‐dimensional binodal {4.52}2{42.510.612.7.83} topology. An investigation of its photoluminescence properties shows that the compound exhibits a strong fluorescence emission in the solid state at room temperature.  相似文献   

11.
The title compound, [Ag2(C6H4N4)(N3)]n, was obtained under hydrothermal conditions at 433 K. The asymmetric unit of the orthorhombic space group (Pna21) consists of two Ag+ cations, an anionic 5‐(pyridin‐4‐yl)tetrazolide (4‐ptz) ligand and an anionic azide ligand. Both Ag+ centres are coordinated by four N atoms, forming a distorted tetrahedral coordination environment. When all the component ions are viewed as 4‐connected nodes, the whole three‐dimensional network can be regarded topologically as a new kind of 4,4,4,4‐connected net with the Schläfli symbol (4.85)(42.84)(43.83)2.  相似文献   

12.
Metal–organic frameworks (MOFs) based on multidentate N‐heterocyclic ligands involving imidazole, triazole, tetrazole, benzimidazole, benzotriazole or pyridine present intriguing molecular topologies and have potential applications in ion exchange, magnetism, gas sorption and storage, catalysis, optics and biomedicine. The 2‐[(1H‐1,2,4‐triazol‐1‐yl)methyl]‐1H‐benzimidazole (tmb) ligand has four potential N‐atom donors and can act in monodentate, chelating, bridging and tridentate coordination modes in the construction of complexes, and can also act as both a hydrogen‐bond donor and acceptor. In addition, the tmb ligand can adopt different coordination conformations, resulting in complexes with helical structures due to the presence of the flexible methylene spacer. A new three‐dimensional coordination polymer, poly[[bis(μ2‐benzene‐1,4‐dicarboxylato)‐κ4O1,O1′:O4,O4′2O1:O4‐bis{μ2‐2‐[(1H‐1,2,4‐triazol‐1‐yl)methyl‐κN4]‐1H‐benzimidazole‐κN3}dizinc(II)] trihydrate], {[Zn(C8H4O4)(C10H9N5)]·1.5H2O}n, has been synthesized by the reaction of ZnCl2 with tmb and benzene‐1,4‐dicarboxylic acid (H2bdic) under solvothermal conditions. There are two crystallographically distinct bdic2− ligands [bdic2−(A) and bdic2−(B)] in the structure which adopt different coordination modes. The ZnII ions are bridged by tmb ligands, leading to one‐dimensional helical chains with different handedness, and adjacent helices are linked by bdic2−(A) ligands, forming a two‐dimensional network structure. The two‐dimensional layers are further connected by bdic2−(B) ligands, resulting in a three‐dimensional framework with the topological notation 66. The IR spectra and thermogravimetric curves are consistent with the results of the X‐ray crystal structure analysis and the title polymer exhibits good fluorescence in the solid state at room temperature.  相似文献   

13.
Bifunctional organic ligands are very popular for the design of coordination polymers because they allow the formation of a great diversity of structures. In the title coordination polymer, the new bifunctional inversion‐symmetric ligand 2,5‐bis(1H‐1,2,4‐triazol‐1‐yl)terephthalic acid (abbreviated as H2bttpa) links CdII cations, giving rise to the three‐dimensional CdII coordination polymer catena‐poly[diaqua[μ4‐2,5‐bis(1H‐1,2,4‐triazol‐1‐yl)terephthalato‐κ4O1:O4:N4:N4′]cadmium(II)], [Cd(C12H6N6O4)(H2O)2]n or [Cd(bttpa)(H2O)2]n. The asymmetric unit consists of half a CdII cation, half a bttpa2− ligand and one coordinated water molecule. The CdII cation is located on a twofold axis and is hexacoordinated in a distorted octahedral environment of four O and two N atoms. Four different bttpa2− ligands contribute to this coordination, with two carboxylate O atoms in trans positions and two triazole N atoms in cis positions. Two aqua ligands in cis positions complete the coordination sphere. The fully deprotonated bttpa2− ligand sits about a crystallographic centre of inversion and links two CdII cations to form a chain in a μ2‐terephthalato‐κ2O1:O4 bridge. This chain extends in the other two directions via the triazole heterocycles, producing a three‐dimensional framework. O—H…O hydrogen bonds and weak C—H…N interactions stabilize the three‐dimensional crystal structure. The FT–IR spectrum, X‐ray powder pattern, thermogravimetric behaviour and solid‐state photoluminescence of the title polymer have been investigated. The photoluminescence is enhanced and red‐shifted with respect to the uncoordinated ligand.  相似文献   

14.
The structure of the title compound, [Cd2(C8H4O4)Cl2(C6H15NO3)]n, consists of one‐dimensional chains in which each centrosymmetric tetranuclear Cd4Cl4O2 cluster is terminated by two chelating triethanolamine (teaH3) ligands but linked to two adjacent clusters through four bridging benzene‐1,4‐dicarboxylate (bdc) ligands. The tetranuclear Cd4Cl4O2 clusters are held together via bridging Cl and O atoms. Three directional hydrogen bonds from the multi‐podal hydroxy groups of the teaH3 ligand stabilize and extend the one‐dimensional chains into a three‐dimensional framework. All three hydroxy groups of the teaH3 ligand form hydrogen bonds, illustrating the fact that the teaH3 ligand can serve as an excellent hydrogen‐bond donor.  相似文献   

15.
Solvothermal reaction between Cd(NO3)2, 1,4‐phenylenediacetate (1,4‐PDA) and 1,3‐bis(pyridin‐4‐yl)propane (bpp) afforded the title complex, [Cd(C10H8O4)(C13H14N2)]n. Adjacent carboxylate‐bridged CdII ions are related by an inversion centre. The 1,4‐PDA ligands adopt a cis conformation and connect the CdII ions to form a one‐dimensional chain extending along the c axis. These chains are in turn linked into a two‐dimensional network through bpp bridges. The bpp ligands adopt an antigauche conformation. From a topological point of view, each bpp ligand and each pair of 1,4‐PDA ligands can be considered as linkers, while the dinuclear CdII unit can be regarded as a 6‐connecting node. Thus, the structure can be simplified to a two‐dimensional 6‐connected network.  相似文献   

16.
In the title coordination compound, [Zn(C12H6O4)(C14H14N4)]n, the two ZnII centers exhibit different coordination environments. One ZnII center is four‐coordinated in a distorted tetrahedral environment surrounded by two carboxylate O atoms from two different naphthalene‐1,4‐dicarboxylate (1,4‐ndc) anions and two N atoms from two distinct 1,4‐bis(imidazol‐1‐ylmethyl)benzene (1,4‐bix) ligands. The coordination of the second ZnII center comprises two N atoms from two different 1,4‐bix ligands and three carboxylate O atoms from two different 1,4‐ndc ligands in a highly distorted square‐pyramidal environment. The 1,4‐bix ligand and the 1,4‐ndc anion link adjacent ZnII centers into a two‐dimensional four‐connected (4,4) network. The two (4,4) networks are interpenetrated in a parallel mode.  相似文献   

17.
Reactions of bis‐(1,2,4‐triazolyl) sulfoxide 2 with various carbonyl compounds 3 led to the formation of twelve corresponding 1,1 ‐bis‐(1,2,4‐triazolyl) compounds, with structures resembling closely some previously prepared aromatase inhibitors.  相似文献   

18.
A twofold interpenetrating three‐dimensional CdII coordination framework, [Cd(C8H3NO6)(C14H14N4)]n, has been prepared and characterized by IR spectroscopy, elemental analysis, thermal analysis and single‐crystal X‐ray diffraction. The asymmetric unit consists of a divalent CdII atom, one 1,3‐bis(2‐methyl‐1H‐imidazol‐1‐yl)benzene (1,3‐BMIB) ligand and one fully deprotonated 5‐nitrobenzene‐1,3‐dicarboxylate (NO2‐BDC2−) ligand. The coordination sphere of the CdII atom consists of five O‐donor atoms from three different NO2‐BDC2− ligands and two imidazole N‐donor atoms from two different 1,3‐BMIB ligands, forming a distorted {CdN2O5} pentagonal bipyramid. The NO2‐BDC ligand links three CdII atoms via a μ1‐η11 chelating mode and a μ2‐η21 bridging mode. The title compound is a twofold interpenetrating 3,5‐connected network with the {42.65.83}{42.6} topology. In addition, the compound exhibits fluorescence emissions in the solid state at room temperature.  相似文献   

19.
In the title compound, {[Zn(C8H4O5)(C12H10N2)]·0.5C12H10N2}n or {[Zn(HO‐BDC)(bpe)]·0.5bpe}n [HO‐H2BDC is 5‐hydroxyisophthalic acid and bpe is 1,2‐bis(pyridin‐4‐yl)ethene], the asymmetric unit contains a ZnII atom, one HO‐BDC ligand, one coordinated bpe ligand and half a noncoordinating bpe molecule with crystallographic inversion symmetry. Each ZnII centre is four‐coordinated by two O atoms from two distinct HO‐BDC ligands and two N atoms from two different bpe ligands in a ZnO2N2 coordination environment. The three‐dimensional topology of the title compound corresponds to a fourfold interpenetrating diamondoid coordination polymer network, with the uncoordinated bpe ligands located in the cavities, hydrogen bonded to the main network via the hydroxy group of the HO‐H2BDC ligand.  相似文献   

20.
Excellent fluorescence properties are exhibited by d10 metal compounds. The novel three‐dimensional ZnII coordination framework, poly[[{μ2‐bis[4‐(2‐methyl‐1H‐imidazol‐1‐yl)phenyl] ether‐κ2N3:N3′}(μ2‐furan‐2,5‐dicarboxylato‐κ2O2:O5)zinc(II)] 1.76‐hydrate], {[Zn(C6H2O5)(C20H18N4O)]·1.76H2O}n, has been prepared and characterized using IR spectroscopy, elemental analysis and single‐crystal X‐ray diffraction. The crystal structure analysis revealed that the compound exhibits a novel fourfold interpenetrating diamond‐like network. This polymer also displays a strong fluorescence emission in the solid state at room temperature.  相似文献   

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