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1.
The hydrothermal reaction of 1,4-bis(imidazol-1-yl)butane (bimb) and 1,4-bis(2- methylimidazol-1′-yl)butane (bmib) with CdBr2-4H2O gave rise to two coordination polymers, [Cd(bimb)2Br2]n (1) and [Cd(bmib)Br2]n (2), respectively. Single-crystal X-ray diffraction analysis reveals that 1 and 2 crystallize in the monoclinic space group P21/n and the orthorhombic space group Pccn, respectively. In 1, bimb adopts an anti-anti-anti conformation and bridges adjacent Cd(II) to form a two-dimensional (2D) network containing rhombohedral rings. The 2D layers are arranged in an offset ABCABC sequence to fill large void in the rhombohedral rings. In 2, bmib also exhibits an anti-anti-anti conformation, but it links neighboring Cd(II) into a one-dimensional (1D) chain. Br- in 1 and 2 serves as a monodentate ligand to balance charge.  相似文献   

2.
The reactions of 4-pyrimidin-5-ylbenzoic acid (HL) with Co(NO3)2·6H2O and Ni(NO3)2·6H2O gave rise to two isomorphous mononuclear coordination complexes, namely, [CoL2(H2O)4] (1) and [NiL2(H2O)4] (2). Both compounds were characterized by IR spectroscopy and single-crystal X-ray diffraction. X-ray crystallographic analyses reveal that they crystallize in monoclinic, space group P21/n. In the crystal structures of these two complexes, only one nitrogen atom of L coordinates to the metal center, and neither carboxylate group nor another nitrogen atom of L links to Co(Ⅱ) or Ni(Ⅱ). 2D Layers with significant hydrogen bonds can be observed, and they are further linked by L to form a 3D supramolecular network. Nitrogen atoms are not involved in forming hydrogen bonds, but carboxylic groups of the ligands play an important role in the configuration of this hydrogen-bond layer.  相似文献   

3.
After the preparation of 1,4-bis(4,5-dihydro-lH-imidazol-2-yl)benzene(bdib), a nitrogen heterocycle with potential coordination manners of both cis- and trans-configuration forms, three complexes, including cis-[Cuz(bdib )2(/L-OCH3)2]Cl2·2MeOH(1), trans-[Cu(bdib)(AcO)2]n(2), and cis-[Ag2(bdib)2](NO3)2.2H20(3), were successfully self-assembled. Complexes 1 and 2 crystallized in the monoclinic system with P21/n space group and complex 3 in the triclinic system with P1 space group.  相似文献   

4.
A new Ni(II) complex, [Ni(ftsc)2NO3]NO3 (Hftsc = furan-2-carbaldehyde thiosemicarbazone), has been synthesized and characterized by IR, UV spectra and single-crystal X-ray diffraction analysis. It crystalfizes in a monoclinic system, space group P2 1/n, with a = 10.5203(13), b = 9.2094(11), c = 20.829(3)A,β = 91.518(2)°, V= 2 017.3(5)A^3, Z = 4, F(000) = 1064, Dc = 1.716 g/cm^3, and wR = 0.0800. The complex contains a six-coordinated nickel(II) center which is bound to two imine nitrogen atoms and two thiolato sulfur atoms of two ligands as well as two oxygen atoms from a nitrate anion to assume a distorted octahedral coordination geometry. In addition, intermolecular N-H…O and C-H…O hydrogen bonds between adjacent molecules link the molecules together to form a three-dimensional structure.  相似文献   

5.
One new coordination polymer based on 4-[(8-hydroxy-5-quinolinyl)azo]-benzoic acid(H2L), { [CdL(H20)]·H2O}n(1) was solvothermally synthesized and structurally characterized by single-crystal X-ray diffrac- tion, infrared spectrometry, elemental analysis, powder X-ray diffraction(PXRD) and thermogravimetric analysis (TGA). In compound 1, L2- ligands link Cd(II) to form a sinusoidal ruffling layer, in which the carboxylic groups connect Cd(II) into an infinite Cd--O chain. And the layers are further stabilized by hydrogen bonding and π-π in- teractions, forming a three-dimensional(3D) supramolecular network. In addition, the fluorescent property of compound 1 was also investigated.  相似文献   

6.
A novel one dimension(1D) cadmium coordination polymer {[Cd(mpda)3]·2(NO3)}n(1) was synthesized via refluxing a mixture of tetradentate Schiff base ligand N,N'-bis(2-pyridinylethylidene)phenylene-1,3-diamine(L) and Cd(NO3)2 in acetonitrile, whose structure was characterized by means of single crystal X-ray diffraction, FTIR spectroscopy, elemental analysis and proton nuclear magnetic resonance(1H NMR). Center metal Cd(II) ion is six-coordinated by six nitrogen atoms from six different m-phenylenediamine(mpda), giving rise to a [CdN6] octahe- dral coordination environment. The two adjacent cadmium centers are linked by three mpda molecules leading to the construction of 1D chain structure. The crystal structure is stabilized by N-H…O hydrogen bonds to form three-dimension supramolecule. Compound 1 exhibits intense yellow luminescence in solid state at 298 K(λem=554 nm), which shows a blue shift at 77 K(ca. 147 nm). Additionally, fluorescence characteristics of compound 1 were investigated in different solvents(polarity: DMSO〉CH3CN〉CH3OH〉CHC13〉toluene) at 298 and 77 K. The results show that the emission peak of compound 1 in solvent exhibits a slight bathochromic shift. However, the emission peaks of compound 1 in CH3OH and CHC13 are red shift compared with that in CH3CN. It is revealed that the lumi- nescence behavior of compound 1 depends on not only the polarity of solvent but also the hydrogen bonding proper- ties between solvent and solute. In addition, the emission peak of compound 1 in solution shows a red shift obviously at 77 K than that at 298 K(ca. 144-159 nm), with the fluorescence lifetime increased at 77 K. The lifetime in DMSO at 77 K(r=12.470μs) was the longest one. The quantum yield of compoud 1 increases with increasing the polarity of solvent within a range of 1.8%-8.3 %.  相似文献   

7.
Hydrothermal reaction of Cd(NO3)2·4H2O with bbp and p-PDOAH2 at 140 ℃ yielded a novel 1D cadmium(Ⅱ) coordination polymer, [Cd(bbp)(p-PDOA)]n (bbp=2,6-bis(benzimidazol-2-yl)pyridine, p-PDOA=p-phenylenedioxydiacetate dianion), in which CdN3O4 pentagonal bipyramids were linked by p-PDOA ligands in a bis-bidentate mode to construct a zigzag chain with the adjacent Cd…Cd distance of 1.14(1) nm, There exists a 2D supramolecular network linked by π-π stacking with a face-to-face distance of 0.35(1) nm between the 2,6-bis(benzimidazol-2-yl) pyridine ligands and hydrogen-bonding interactions (0.27(4) nm). A 3D supramolecular network was further constructed by these non-covalent interactions between the zippers. The TG/DTG showed that its chain skeleton was thermally stable up to 389 ℃ and the blue fluorescent emission of the complex was determined at 428 nm in a solid state with its long decay lifetime of 7.24 ns.  相似文献   

8.
温德才  谢静  姜秀榕 《结构化学》2009,28(3):279-282
A new coordination polymer [Mn{5-(NO2)sal}2(phen)]n (5-(NO2)sal = 5-nitrosalicylate, phen = 1,10-phenanthroline) was synthesized by a hydrothermal reaction and characterized by elemental analysis, IR and X-ray single-crystal diffraction. The title complex crystallizes in orthorhombic, space group Pbcn with α = 25.747(8), b = 13.220(4), c = 7.009(3) A, V= 2386(1)A^3, Z = 4, R = 0.0427 and wR = 0.0890. The 5-nitrosalicylate anions doubly bridge the Mn(Ⅱ) atoms to form a one-dimensional polymeric chain with repeated eight-membered ring units (Mn-O-C-O)2. The crystal structure is stabilized by intra- and interchain hydrogen bonding interactions. The cyclic voltammetric behavior of the title complex is also reported.  相似文献   

9.
蔡成翔  何坤欢  蒋毅民 《结构化学》2009,28(10):1275-1280
The title complex [Cu2(Sams)2(H2O)2(bipy)]·(H2O) 1 (H2Sams = N-(2-hydroxybenzy) aminomethanesulfonic acid, bipy = 4,4′-bipyridine) has been synthesized by the reaction of Cu- (CH3COO)2·H2O, nESams and 4,4′-bipyridine in aqueous methanol. It was characterized by IR, elemental analysis, thermogravimetric analysis (TGA) and X-ray diffraction analysis. Complex 1 crystallizes in monoclinic, space group P21/n with a= 10.9533(17), b = 8.3408(13), c = 16.714(3) A^°, β = 101.295(4)°, V = 1494.3(4) A^°3 and Z = 2. The asymmetric unit is comprised of a tridentate Schiff base Sams^2- anionic ligand, a 4,4′-bipyddine and two coordinated water molecules, thus forming a binuclear copper(Ⅱ) complex. The coordination environment at Cu^Ⅱ center is described as a slightly distorted square pyramidal geometry. Via intermolecular hydrogen bonds C(10)-H(10)…O(3) and C(13)- H(13)…O(3), an infinite supramolecular chain is yielded. A number of intermolecular hydrogen bonds greatly contribute to the stabilization of the solid-state structure for 1.  相似文献   

10.
Four new Cu(Ⅱ) complexes with two benzotriazole-based ligands, [Cu2(L^1)2(NO3)2]· 2H2O (1), [Cu2(L^1)2]·2ClO4·2H2O (2), [Cu2(HL^2)2(NO3)4]·2CH3COCH3 (3) and [Cu(HL^2)2(Cl)]·Cl·2CH2Cl2 (4), where HL^1 = 1,3-bis(benzotriazol-2-yl)-2-propanol and HL^2 = 1,3-bis(benzotriazol-1-yl)-2-propanol, were synthesized and structurally characterized by elemental analyses, IR and single-crystal X-ray diffraction analyses. It is revealed that complexes 1~3 have dinuclear structures, while 4 possesses a one-dimensional (1-D) chain structure, which extends in two orthogonal orientations. In 1~4, the coordination numbers of Cu(Ⅱ) centers range from four to six, which may be attributed to the different geometries and coordination abilities of the ligands and anions. The L^1 ligand in complexes 1 and 2 adopts a tridentate di-chelating coordination mode, whereas ligand HL^2 in complexes 3 and 4 has a bidentate bridging coordination mode. The different coordination modes of these two ligands may be explained by the different charges of nitrogen donor atoms in the benzotriazole ring, which has been investigated by density functional theory (DFT) calculations.  相似文献   

11.
ZHAO Xiao-Fan 《结构化学》2007,26(6):637-641
The dinuclear Schiff base cadmium(Ⅱ) complex [Cd2(C10H15N3)2(N3)2 (μ1,1-N3)2] was prepared and characterized by elemental analysis, IR spectrum, and single-crystal X-ray dif- fraction. The crystal belongs to the monoclinic system, space group P21/n with a = 10.819(2), b = 11.058(2), c = 12.766(3)A, β = 102.456(2)°, V = 1491.3(7)A^3, Z = 2, Dc = 1.665 g/cm^3, Mr = 747.42, λ(MoKα) = 0.71073 (A), μ = 1.470 mm^-1, F(000) = 744, R = 0.0307 and wR = 0.0584. A total of 3420 unique reflections were collected, of which 2575 with Ⅰ 〉 2σ(Ⅰ) were observed. There is a crystallographic inversion centre at the midpoint of the two metal atoms in the complex. Each CdⅡ atom in the complex is in a distorted octahedral coordination. The molecules in the crystal are linked through the intermolecular hydrogen bonds of N-H…N and C-H…N, forming a three- dimensional network.  相似文献   

12.
A new complex, [Cd(Himc)2(H2O)2] 1, obtained from imidazole-4-carboxylatic acid (H2imc) and Cd(ClO4)2·6H2O, has been synthesized. The crystal structure was determined by X-ray diffraction. The title compound crystallizes in the orthorhombic system, space group Pccn, with a = 7.4886(11), b = 11.9667(18), c = 13.550(2) A, V= 1214.3(3) A3, Z = 4, Mr= 370.60, Dc = 2.027 mg/m3, F(000) = 728,μ (MoKa) = 1.829 mm^-1, the final R = 0.0243 and wR = 0.0591 for 1150 unique reflections with I 〉 2σ(I). The cadmium(II) center in the title complex is coordinated with two oxygen and two nitrogen atoms from two bidentate chelated imidazole-4-carboxlate ligands together with two water molecules, giving a distorted octahedral coordination geometry. A one-dimensional hydrogen bonding chain is formed via intermolecular O-H...O hydrogen bonds, and such adjacent chains are further stacked through intermolecular π-π and hydrogen bonding interactions to form a 3D supramolecular framework. Complex 1 exhibits a fluorescent emission band at 290 nm (λex = 236 nm) in the solid state.  相似文献   

13.
银秀菊  欧阳淼  刘旭辉  蒋毅民 《结构化学》2009,28(10):1251-1256
A novel coordination polymer [Na2Cd(2,6-pyda)(N3)2(H2O)6]n (2,6-H2pyda = 2,6- pyridinedicarboxylic acid) has been synthesized and characterized by elemental analysis, IR and single-crystal X-ray diffraction. The crystal belongs to the monoclinic system, space group C2/c, with a = 24.416(4), b = 10.7638(17), c = 6.9224(11) A^°, β= 106.124(2)A^°, V = 1747.7(5) A^°3, Mr = 515.64, De= 1.960 g/cm^3,μ = 1.365 mm^-1, F(000) = 1024, Z = 4, the final R = 0.0426 and wR = 0.1320. In the title complex, there exist two kinds of metal centers in the structure, cadmium ions and sodium ions. The Cd(Ⅱ) atom shows a distorted pentagonal-dipyramidal geometry defined by two O and one N atoms from one deprotonated pyda ligand and four N atoms from four μ-1,1,3 azido groups. The adjacent cadmium atoms are bridged via two μ-1,1,3 azido groups, along the c axis to afford an extended chain. There is also a 2D network which is comprised of binuclear subunits [NaE(H2O)6] connected by O atoms from coordinated water between the adjacent Cdn(pyda)n(Na)2n infinite chains. Furthermore, each cadmium atom is connected with four adjacent sodium atoms through the bridging N3- ligand in μ-1,3 patterns. Thus, the title complex exhibits a novel three-dimensional network structure.  相似文献   

14.
A new La(Ⅲ) complex, {[La(L)(NO3)(H2O)3]·H2O}n (L = 1,10-phenanthroline- 2,9-dicarboxylate), has been synthesized and structurally determined by X-ray diffraction analysis. The complex crystallizes in the monoclinic system, space group P21/c with a = 7.7358(17), b = 8.1664(18), c = 28.271(6) A, β= 95.184(4)°, V= 1778.6(7) A3, Z = 4, C14H14LaN3O11, Mr = 539.19, Dc = 2.014 g/cm^3, μ= 2.471 mm^-1, F(000) = 1056, the final R = 0.0350 and wR = 0.0659. In this complex, each metal center adopts a ten-coordination geometry formed by two N atoms from a ligand L and eight O atoms from three H2O molecules, a nitrate ion and carboxylates of two ligands. Each ligand adopts a N2,O3-pentdentate coordination mode using two N and two O atoms chelating a La(Ⅲ), and using another O atom of carboxylate to bridge another La(Ⅲ) center resulting in a 1D helical chain molecule. Intermolecular strong O-H…O and weak C-H…O hydrogen bonds extend the 1D chain structure into a 3D supramolecular architecture.  相似文献   

15.
A new 1-D coordination polymer [Cd(Hsal)2(bpp)2] 1 was hydrothermally synthesi- zed by self-assembly of the corresponding metal oxide and salicylic acid (H2sal) with exo-bidentate flexible dipyridyl ligand 1,3-bis(4-pyridyl)propane (bpp). X-ray crystal structure analysis reveals that complex 1 crystallizes in monoclinic,space group C2/c with a = 18.942(3),b = 12.9309(19),c = 16.504(2) A,β = 120.072(2)°,V = 3498.3(9)A^3,Z = 4,C40H38CdN4O6,Mr = 783.14,Dc = 1.487 g/cm^3,μ = 0.679 mm^-1,F(000) = 1608,R = 0.0619 and wR = 0.1435 for 3153 observed reflections (I 〉 2σ(I)). The most remarkable feature of 1 lies in the 1-D chain by repeating [Cd2(bpp)2] units which consist of a 24-membered macrocyclic ring. The 1-D motifs are further connected by C–H… O hydrogen bonds to generate a 2-D structure. In addition,thermal stability and luminescent property of compound 1 were also documented.  相似文献   

16.
A novel coordination polymer of [Zn(4-CPOA)(Phen)(H2O)]n (C21H16N2O6Zn,1,4-CPOA = 4-carboxylato-phenoxyacetate dianion and Phen = 1,10-phenanthroline) has been synthesized and characterized by elemental analysis,IR,TG,PL and single-crystal X-ray diffraction. The crystal crystallizes in the triclinic system,space group of P1 with a = 9.622(3),b = 9.631(3),c = 11.526(4)A,α = 67.719(5),β = 71.203(5),γ = 83.552(6)o,V = 935.5(5) A^3,Z = 2,Dc = 1.625 g/cm^3,μ = 1.357 mm^-1 and F(000) = 468. The Zn(II) ion is surrounded by three carboxylate O atoms from two different 4-CPOA groups,two N atoms from the Phen ligand and one water molecule,forming a distorted octahedral coordination configuration. The Zn(II) ions were alternately interlinked by carboxylate groups of 4-CPOA with chelating bisbidentate and monodentate modes into a one-dimensional zigzag chain having an intrachain distance of ca. 9.631(1) . Under the direction of supramolecular recognition and attraction,the adjacent chains yield a double-stranded chain through π-π stacking between the phen ligands,which was further expanded into a 2-D framework via strong C–H–π interaction (ca. 2.95(1) ) between the 4-CPOA ligands and into a 3-D supramolecular network by strong hydrogen bond between terminal water molecule and carboxyl group. TG/DTG shows that its chain skeleton is thermally stable up to 419 oC and the blue fluorescent emission of the complex was determined at 471 nm in a solid state with its long decay lifetime of 1.83 ns.  相似文献   

17.
The 1-D chain coordination complex of {[Mn2(HCAM)3(H2bipy)]·5H2O}n (H3CAM = 4-hydroxypyridine-2,6-dicarboxylic acid, bipy = 4,4'-bipyridine) has been synthesized by the reaction of 4-hydroxypyridine-2,6-dicarboxylic acid, 4,4'-bipyridine and manganese carbonate under hydrothermal conditions, and its crystal structure was determined by X-ray diffraction method The crystal belongs to the monoclinic system, space group P21/n with a = 10.110(2), b = 20.159(4), c = 17.861(4)A,β = 99.67(3)°, V = 3.5884(12) nm3, Mr= 901.47, Z = 4, Dc= 1.669 g.cm^-3, μ= 0.798 mm^-1, F(000) = 1840, the final R = 0.0713 and ωR = 0.1853. The complex forms a 1-D chain bridged by HCAM, protonated 4,4-bipyridines link the 1-D chains to construct 2-D networks via N-H...O hydrogen bonds, and networks are further extended via π-π stacking and hydrogen bonds into 3-D supramolecular framework.  相似文献   

18.
The hydrothermal reaction of Cd(OAc)2.H2O with 1,2-benzenedicarboxylate (1,2-BDC), imidazole and H2O resulted in the formation of a binuclear polymeric Cd( Ⅱ ) complex {[Cd2(1,2-BDC)2(Im)4].(H2O)}n which was then characterized by elemental analyses and single-crystal X-ray diffraction analysis. The crystal is of monoclinic system, space group P21/c with a = 14.6455(3), b = 9.3530(2), c = 23.7838(5)A, β= 106.6290(10)°, Cl12H104CdgN32O36, Mr = 3373.47, V = 3121.64(11)A^3, Dc = 1.795 g/cm^3, F(000) = 1672,μ= 1.428 cm^-1 and Z = 1. The final R = 0.0316 and wR = 0.0687 for 5045 reflections with I 〉 2σ(I). In the title complex, the two Cd( Ⅱ) ions are in different coordination environments with distorted octahedral and pengonal bipyramidal geometries, respectively. Two Cd polyhedra are linked together through one μ2-η^1:η^1 and one μ2-η^1:η^1 carboxylate groups from different 1,2-BDC ligands, giving rise to a binuclear Cd( Ⅱ ) cluster, and such clusters are connected by bridged 1,2-BDC ligands to form a 2-D structure along the c axis. The inter- and intermolecular hydrogen bonds further connect the 2-D structures into a 3-D supramolecular network.  相似文献   

19.
A novel Cd(II) coordination polymer, [Cd Cl(Hpc)H2O]n(1, H2 pc = 1H-pyrazole-3-carboxylic acid), was synthesized by the reaction of Cd Cl2·2.5H2 O with H2 pc, and structurally characterized by IR spectrum, UV-Vis spectrum, elemental analysis, single-crystal X-ray diffraction, as well as thermal analysis. Compound 1 crystallizes in monoclinic, P21/n space group with a = 7.0304(3), b = 10.3047(3), c = 10.6446(4), β = 107.174(4)°, V = 736.78(5) 3, Z = 4, C4H5 Cd Cl N2O3, Mr = 276.95, Dc = 2.497 g/cm3, F(000) = 528.0, μ = 3.281 mm-1, R = 0.0169 and w R = 0.0387. The central metals adopt distorted octahedral geometry. Carboxyl groups of the ligand connect Cd(II) into a one-dimensional chain, which further constructs a two-dimensional network by halogen bridging. Such two-dimensional structures are finally connected into a three-dimensional supramolecular architecture due to the hydrogen bonds and intermolecular π-π interactions. In addition, complex 1 has high thermal stability.  相似文献   

20.
A novel cadmium(Ⅱ) coordination polymer {[Cd(1,5-nds)(Him)2(H2O)]·2H2O}n (1,5-nds = naphthalene-1,5-disulfonate and Him = imidazole) was synthesized based on the reaction of cadmium oxide and 1,5-naphthalenedisulfonic acid firstly, and then mixed with imidazole in methanol medium. Its structure was characterized by elemental analysis, IR and TGA, respectively. The crystal structure was determined by single-crystal X-ray diffraction. The crystal belongs to the triclinic system, space group P1, with a = 8.5420(10), b = 10.2570(10), c = 13.361(2) A, α = 100.704 (2), β = 100.195(2), γ = 108.873(3)°, C16H20Cd N4O9S2, Mr= 588.91, V = 1.0524(2) nm^3, Dc = 1.858 g/cm^3, Z = 2, F(000) = 592, β^ = 1.294 mm-1, R = 0.0397 and wR = 0.1007 for 3180 observed reflections (Ⅰ〉 2σ(Ⅰ)). Structural analysis shows that the cadmiun atom is coordinated with four oxygen atoms from three 1,5-nds and one water molecule together with two nitrogen atoms from two imidazoles, giving a distorted octahedral coordination geometry. The molecules are linked to form a two-dimensional coordination polymer based on bridging ligands of naphthalene- 1,5-disulfonate anions, the sheets of which are then interacted via hydrogen bonds, leading to a three-dimensional network structure.  相似文献   

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