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1.
A new Cd(Ⅱ) coordination polymer, namely, [Cd3(1,2,3-BTC)2(L)2]·2.25H2O(1, L = 2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline and 1,2,3-BTC = 1,2,3-benzenetricarboxylate), has been synthesized under hydrothermal conditions. The compound was characterized by single-crystal X-ray diffraction. It crystallizes in triclinic, space group P1 with a = 11.650(2), b = 12.240(2), c = 19.760(4), α = 72.01(3), β = 77.11(3), γ = 83.48(3)°, V = 2609.4(9) 3, Z = 2, C56H31Cd3Cl2F2N8O14.25, Mr = 1489.99, Dc = 1.896 g/cm3, F(000) = 1466, μ(MoKa) = 1.401 mm-1, R = 0.0401 and wR = 0.1104. Compound 1 shows a 1D chain structure, and the neighboring 1D chains of 1 are joined together by π···π interactions to result in a 2D supramolecular layer. In addition, the luminescent property of 1 has been studied in the solid state at room temperature.  相似文献   

2.
Hydrothermal reactions of three aromatic polycarboxylic acids and the transitional metal cations in the presence of phen and 1,4-bib afford three new coordination polymers: [Cd2(bpp)1.5(Hbpp)(phen)2]n (1), [Mn3(Htptc)2(phen)2(H2O)2]n (2), and {[Cu(btc)0.5(1,4- bib)]·2H2O}n(3) (H2bpp = 2,6-bis(4'-carboxyphenyl)-4-phenylpyridine, H4tptc = terphenyl-2,5,2',5'-tetracar- boxylic acid, H4btc =biphenyl-2,2',4,4'-tetracarboxylic acid, phen =1,10-phenanthroline, and 1,4-bib = 1,4-bis(1H-imidazol-1-yl)benzene). Their structures have been determined by single- crystal X-ray diffraction analyses, elemental analyses, IR spectra, and powder X-ray diffraction (PXRD) analyses. In compound 1, the CdII cations are linked by bpp2- to form one ladder structure, based on which a 3D network is constructed with the help of non-covalent interactions. The topology of 2 is a 3D (3,4,5)-connected framework with the Point Schl?fli symbol of (42.6)2(43.62.8)(45.64.8)2. Compound 3 shows an unprecedented 3D (4,4)-connected framework with the Point Schl?fli symbol of (64.82)2(65.8). Moreover, the luminescent property of 1 has been investigated.  相似文献   

3.
A new one-dimensional Mn(Ⅱ) complex, [MnL2(bipy)(H2O)2]n 1, has been obtained by the reaction of MnCl2·4H2O, 2,2'-bipyridine (bipy) and 1-(4-phenoxyacetate)-5-thioacetatetetrazole (H2L). The crystal crystallizes in the triclinic system, space group Pi with a = 7.6088(2), b = 12.2795(2), c = 13.6617(3)A, α = 75.416(2), β =79.264(2), γ = 74.271(2)°, V = 1179.48(4) A3, Z = 2, Mr = 555.43, F(000) = 570, Dc = 1.564 g/cm^3, μ = 0.704 mm^-1, the final R = 0.0454 and wR = 0.0849 for 3127 observed reflections (Ⅰ〉 2σ(Ⅰ)). The Mn(Ⅱ) is six-coordinated by two water molecules, two N atoms from bipy and two carboxylate O atoms from two L^2- to form a distorted octahedral geometry. Each L^2- ligand serves as a bridging ligand to link two Mn(Ⅱ) atoms, leading to a single-strand zigzag coordination polymer. Hydrogen-bonding interactions between adjacent chains as well as π-π stacking interactions extend the complex into a three-dimensional supramolecular architecture. Moreover, the title compound emits strong red fluorescent light (λem(max) = 610 nm) in EtOH solution.  相似文献   

4.
A heterometallic 4f-5d inorganic-organic metaMsonicotinato hybrid [Gd(C6NO2H5)3- (H2O)2]2n·(nH5O2)(nHgCl5)(2nHgCl4)·(2nH2O) 1 has been synthesized via hydrothermal reaction and structurally characterized. Complex 1 crystallizes in the space group C2/c of monoclinic system with four formula units in a cell: a = 24.234(8), b = 20.816(7), c = 15.333(3)A , β= 128.091(8)°, V = 6088(3)A^3, C36H47Cl13Gd2Hg3N6O20, Mr = 2260.92, Dc = 2.467 g/cm^3, S = 0.896, μ(MoKα) = 10.331 mm^-1, F(000) = 4216, R = 0.0344 and wR = 0.0629. The crystal structure analysis reveals that the title complex is characteristic of a one-dimensional chain-like structure. Photoluminescent investigation reveals that the title complex displays a broad and intense emission in the green region.  相似文献   

5.
张雷  胡劲松  何杰 《结构化学》2013,(9):1297-1302
A two-dimensional(2D)coordination polymer{[Cd(bdc)(dpb)]·H2O}n(1)has been prepared by solvothermal reaction of 1,3-dipyridyl benzene(1,3-dpb)with deprotonated1,4-benzenedicarboxylate(H2bdc),and was characterized by elemental analysis,IR spectroscopy,and X-ray single-crystal diffraction.It crystallizes in the monoclinic system,space group C2/c with a=15.1839(12),b=20.7585(17),c=7.2989(6),β=117.3450(10)°,V=2043.5(3)3,C24H18N2O5Cd,Mr=526.81,Dc=1.712 g/cm3,F(000)=1056.0,μ=1.110 mm-1and Z=4.The neighboring Cd(II)ions link the bdc2-anions and 1,3-dpb to form an infinite 2D sheet,and such two2D sheets are interlocked with each other to form a 2D→2D sheet.Two groups of interlocked sheets are further linked together by intermolecularπ···πinteraction,giving a 3D supramolecular network.In addition,the fluorescence property of 1 was also studied.  相似文献   

6.
A novel compound [H-IDP]4[PMo12O40]·8H2O 1 based on Keggin-type phosphor- molybdate has been synthesized by hydrothermal method and characterized by IR spectroscopy, elemental analyses and single-crystal X-ray diffraction. The composite crystallizes in the mono- clinic system, space group C2/m with a = 13.937(5), b = 27.033(5), c = 10.857(5) A, β = 122.489(5)°, V = 3450(2)A^3, Mr = 2611.11, Z = 2, Dc = 2.498 g/cm^3, F(000) = 2486,μ = 2.243 mm^-1, the final R = 0.0568 and wR = 0.1216 for 2707 observed reflections with I 〉 2σ(I). X-ray structural study shows that 1 consists of a [PMo12O40]^4- polyanion, four protonated IDP cations and eight H2O molecules. In the structure of 1, a 3D network forms by hydrogen bond of [PMo12O40]^4- polyanion, HIDP^+ cation and H2O molecules. Upon excitation wavelength of 280 nrn in hydroxylic solvents at room temperature, 1 shows fluorescence property.  相似文献   

7.
A novel NiII complex {[Ni(IBG)μ-H20)(H2O)2]·2H2O}n 1 (H2IBG = isophthaloyl- bisglycine) has been synthesized and characterized by single-crystal X-ray diffraction, elemental analysis, IR spectra, and thermogravimetric analysis. It crystallizes in monoclinic, space group P2/c with a = 15.40(2), b = 6.960(10), c = 7.865(11) A, β = 90.32(3)°, F = 843(2) A3, Z = 2, C12H18NiN2Oll, Mr = 424.99, Dc = 1.675 g/cm3, F(000) = 440,/a(MoKa) = 1.214 mm-1, the final R = 0.0514 and wR = 0.1247 for 1078 observed reflections with I 〉 2σ(I). In the structure, each NiH center is situated in the center of a rather regular octahedron. Moreover, thermal stability has been studied and magnetic measurements show antiferromagnetic interactions for this complex.  相似文献   

8.
A manganese(Ⅱ) complex (tataH)2[Mn(pydc)2]·4H2O (C20H28MBN14O12, Mr = 711.50, tata = 2,4,6-triamino-1,3,5-triazine, pydcH2 = pyridine-2,6-dicarboxylic acid) has been synthesized and its crystal structure was determined by single-crystal X-ray diffraction. The crystal belongs to the triclinic system, space group P1^-, with a = 9.9847(3), b = 10.9813(3), c = 15.2616(5)A, a = 101.5310(10), β = 90.2610(10), γ = 116.4600( 10)% V = 1459.44(8)A^3, Z = 2, Dc = 1.619 g/cm^3,μ = 0.539 mm^-1, F(000) = 734, the final R = 0.0292 and wR = 0.0745. In the crystal the Mnn atom is six-coordinated by four carbonyl oxygen atoms and two pyridine nitrogen atoms from two tridentate pydc ligands to furnish a distorted octahedral geometry. The complex shows the A…D…D'…A' H-bonded tetramer. The molecules are packed in a three-dimensional framework structure by the combination of O-H…O, N-H…O and N-H…N hydrogen bonds between (tataH)^+, [Mn(pydc)2]^2- and crystal water.  相似文献   

9.
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   

10.
YANG  Ying-Qun ZHANG  Shao-Hua LI  Wei 《结构化学》2013,(11):1663-1666
A new Cd(II) complex [Cd(C12H6OaN2)(Phen)ffH2O)]'3H2O with 2,2"-bipyridine- 3,3"-dicarboxylic acid as a ligand has been synthesized. Crystal data for the title complex are as follows: monoclinic, space group P2dn, a = 12.8458(5), b = 17.9131(7), c = 15.2960(6) A, β = 111.7430(10)°, V = 3269.3(2) A3, Dc = 1.581 g/cm3, Z = 4,/a(MoKa) = 0.731 mm-1, F(000) = 1580, the R = 0.0244 and wR = 0.0605. In the title complex, the central Cd(ll) ion is located in a distorted octahedral coordination environment. The electrochemical and fluorescent properties of the title complex were studied. The results show that the electron transfer of the title complex is irreversible in the electrode reaction and it has a broad emission peak in the range of 470-508 nm with the excitation wavelength of 488 nm.  相似文献   

11.
The title compound [Zn(btzb)2Cl2]·2H2O (1·2H2O, btzb = 1,2-bis(5-tetrazolyl)ben- zene) was synthesized in situ by the [2+3] cycloaddition reaction of phthalonitrile with NaN3 in water in the presence of ZnCl2 under refluxing conditions. 1·2H2O crystallizes in the monoclinic system, space group P2 1/c with a = 9.0119(18), b = 7.5566(15), c = 18.076(5)A, β= 114.67(2)°, V= 1118.6(4)A^3, Z = 2, Dc = 1.784 g/cm^3, T= 223(2) K, C16H16N16O2Cl2Zn, Mr = 600.74, F(000) = 608, μ(MoKα) = 1.393 mm^-1, S = 1.081, R = 0.0306 and wR = 0.0669 for 1896 observed reflections with I 〉 2σ(I). The Zn^2+ ion of 1 is coordinated by four N atoms from two btzb ligands and two Cl atoms, forming a distorted octahedral coordination geometry. A number of intermolecular hydrogen bon- ding interactions between molecules 1 and/or the solvated water molecules result in a 3D hydrogen-bonded structure. The luminescent property of 1·2H2O was also investigated.  相似文献   

12.
A novel coordination polymer [Nd2(PDB)2(CH3COO)2(H2O)3] (H2PDB = pyridine3,4-dicarboxylic acid) has been synthesized by the reaction of Nd(CH3COO)3 with pyridine3,4-dicarboxylic acid under hydrothermal conditions. Elemental analysis, IR spectra and X-ray crystal structure analysis were carried out to determine the composition and crystal structure of the title complex which belongs to the triclinic system, space group P^-1 with a = 6.9409(14), b = 7.5497(15), c = 22.530(5)A, α = 84.79(3), β = 88.15(3), γ= 75.55(3)^o, C18H18N2O15Nd2, Mr = 790.82, Z = 2, V = 1138.5(4) A^3, Dc = 2.307 g/cm^3,μ = 4.593 mm^-1, -6≤h≤8, -5≤k ≤8, -26≤l≤ 26, F(000) = 760, Rint = 0.0298, R= 0.0314 and wR= 0.0695 (I〉 2σ(I)). Nd(1) and Nd(2) are linked into zigzag chains by carboxylate groups of acetate with interesting μ3-η^2:η^2 fashion. The zigzag chains are bridged by PDB to form a 2D framework, and a 3D supramolecular network is further constructed via π-π stacking.  相似文献   

13.
A new one-dimensional polymeric complex [Cd(SCN)2(H2O)]L (L = N,N′-bis(furan- 2-ylmethylene)hydrazine) has been synthesized and characterized by IR, UV spectra, TG-DTA technique and single-crystal X-ray diffraction analysis. It crystallizes in triclinic, pace group P1^- with a = 5.9268(8), b = 10.8678(15), c = 13.3671(19) A, α = 109.295(2), β = 95.092(2), γ = 97.8580(10)°, V = 796.70(19)A^3, Z = 2, C12H10CdN4O3S2, Mr = 434.76, μ = 1.648 mm^-1, Dc = 1.812 g/cm^3, F(000) = 428, R = 0.0308 and wR = 0.0769. The crystal structure reveals that the structure of [Cd(SCN)2(H2O)]n features di-μ-1,3-thiocyante bridges and 1D chains. The octahedrally coordinated Cd atom is surrounded by one oxygen atom from water molecule, three S atoms and two N atoms from five di-μ-1,3 thiocyanato bridges. The Cd atoms are connected by two di-μ-1,3 thiocyanato bridges with the Cd(1)…Cd(1A) separation of 4.239(1) A and Cd(1)...Cd(1B) of 5.852(1)/~. In addition, the one-dimensional straight chain structure is further connected by multiform intermolecular N-H…O hydrogen bonds and π-π interactions to form a three-dimensional supramolecular structure.  相似文献   

14.
The title coordination polymer, [Co(1,4-ndc)(L)(H2O)]n 1 (1,4-H2ndc = 1,4-na- phthalenedicarboxylic acid and L =1-(5-(1H-imidazol- 1-yl)pentyl)- 1H-imidazole) has been hydrothermally synthesized and characterized by IR and single-crystal X-ray diffraction. It crystallizes in monoclinic, space group P21/n with a = 12.4333(12), b = 13.2963(13), c = 13.4678(13)A, α =β = 90°, y =107.302(2)°, V= 2125.7(4)A^3, Z = 4, CoC22H22N4O5, Mr = 481.37, De = 1.504 g/cm^3, F(000) = 996, μ(MoKa) = 0.850 mm^-1, R = 0.0472 and wR = 0.0984. Compound 1 exhibits a two-dimensional layer structure. The O-H...O and C-H...O hydrogen bonds stabilize the structure of 1.  相似文献   

15.
A new 1D Cd(II) coordination polymer, [Cd(H2biim)2(SO4)]n·3n H2O(1, H2 biim = 2,2'-H2biimidazole), has been hydrothermally synthesized and characterized by single-crystal X-ray diffraction. It crystallizes in monoclinic, space group P21/c with a = 6.8405(14), b = 17.792(4), c = 14.987(3) A, β = 92.68(3), V = 1822.1(6) A3, Z = 4, C12H18 Cd N8O7S, Mr = 530.80, Dc = 1.935 g/cm3, F(000) = 1064, μ(Mo Ka) = 1.371 mm-1, R = 0.0280 and w R = 0.0617. In 1, adjacent Cd(II) atoms are bridged by sulfate anions in bidentate modes to yield a 1D chain. H2 biim ligands are located on both sides of the chain in chelating bidentate modes. Further, the H2 biim ligands from neighboring chains are paired through π-π interactions to generate a supramolecular layer, which is stabilized by the complicated N–H···O and O–H···O hydrogen bonds. In addition, thermal behavior and luminescent property of 1 have been investigated.  相似文献   

16.
A novel metal-organic complex Cu(p-FBA)2(phen)(H2O) (p-FBA = p-fluorobenzoic acid,phen = 1,10-phenanthroline) has been synthesized and structurally characterized by X-ray single-crystal diffraction,elemental analysis and IR spectra. The crystal belongs to triclinic,space group P1 with a = 7.8043(7),b = 10.4069(9),c = 14.3658(13) ,α = 105.3170(10),β = 96.877(2),γ = 96.7580(10)o,V = 1103.56(17) 3,Mr = 539.96,Z = 2,Dc = 1.625 g/cm3,μ = 1.050 mm-1,F(000) = 550,the final R = 0.0324 and wR = 0.0952. In the crystal,the structure consists of discrete molecules containing a five-coordinate copper(Ⅱ ) in a distorted square pyramidal configuration. Intramolecular O-H···O hydrogen bonds,weak intermolecular C-H···O hydrogen bonds and π-π stacking link the molecules into a one-dimensional chain structure. The study on the title complex has been performed with quantum chemistry calculation by means of G03W package on the Lanl2dz basis set. The stabilities of the complex together with the orbital energies and composition characteristics of some frontier molecular orbitals have been investigated.  相似文献   

17.
A new luminescent Cd(Ⅱ) compound, [Cd3(OABDC)2(bipy)2(H2O)2]n (1, H3OABDC = 5-oxyacetateisophthalic acid, bipy = 4,4'-bipyridine), has been prepared by the assembly of Cd(Ⅱ) salt with the mixed ligands of H3OABDC and 4,4'-bipy under hydrothermal conditions. The crystal structure is of monoclinic, space group P2/n with a = 13.6730(5), b = 10.1265(3), c = 15.9752(4) , β = 103.061(3)o, V = 2154.70(11) 3, C40H34Cd3N4O18, Mr = 1195.94, Z = 2, Dc = 1.843 g/cm3, F(000) = 1180, μ = 1.549 mm-1, the final R = 0.0409 and wR = 0.1291 for 2746 observed reflections (I > 2σ(I)). Single-crystal X-ray structural analysis reveals that compound 1 features a self-penetrating two-dimensional (2D) layered structure. According to topology analysis, this 2D framework can be characterized as a (3,4)-connected (6.72)2 (62.8)2 (73.8.102) net that has never been reported before. Finally, these 2D layers are further linked by intermolecular hydrogen bonds and π…π interactions to form a three-dimensional (3D) supramolecular framework. Moreover, Compound 1 exhibits strong blue photoluminescence at room temperature.  相似文献   

18.
8,9,12-Trihydro-9,9-pentamethylene- 12-(3-nitrophenyl)- 11H-naphtho[ 1',25,6]- pyrano[2,3-d]pyfimidin- 11 (10H)-one 1, another conversion product of Ffiedlandler reaction, has been synthesized by the reaction of 2-amino-4-(3-nitrophenyl)-4H-benzo[f]chromene-3-carbonitrile 2 with cyclohexanone in the presence of Lewis acid catalysts. The crystal of the title compound 1 THF solvate, C60H62N6O10, was obtained and determined by X-ray diffraction method. The crystal is of triclinic, space group P1 with a = 11.4633(11), b = 12.6247(12), c = 19.658(2)A, α = 72.642(8), β = 89.045(9), γ = 68.340(5)°, V = 2509.6(4), Z = 2, De = 1.359 g/cm^3, F(000) = 1088, Mr = 1027.16, the final R = 0.0674 and wR = 0.1869 with Ⅰ 〉 2σ(Ⅰ) and the goodness-of-fit S = 1.045 on F^2. The pyrimidine ring has an envelope conformation, linked with a six-membered ring through a spiro C atom. The crystal packing of 1 THF solvate is stabilized by N-H…O hydrogen bonds, and π-π stacking interaction occurs between two adjacent nearly planar molecules of 1.  相似文献   

19.
A binuclear zinc(Ⅱ) complex with 2-carboxycinnamic acid (2-ccm) and dipyrido- [3,2-a:2',3'-c]phenazine (DPPZ), {[Zn2(2-ccm)2(DPPZ)2]·2H2O}n, was synthesized and characterized by elemental analysis, IR, single-crystal X-ray diffraction, thermal gravimetry and fluo- rescent emission. It crystallizes in monoclinic, space group P21/c with a = 13.409(4), b = 25.530(7), c = 13.952(4) A, β = 99.554(3)°, V= 4710(2) A3, Z= 4, C56H36N8O10Zn2, Mr= 1111.67, Dc = 1.568 g/cm3, μ(MoKα) = 1.093 mm^-1, F(000) = 2272, R = 0.0422 and wR = 0.0895. In the crystal, the basic unit of 1 is a binuclear Zn2 entity which is linked by 2-ccm ligand to form a 1D double chain along the a axis. The O-H...O hydrogen bonding and π-π interactions lead to a 3D supramolecular motif. In addition, thermal and luminescent properties of complex 1 have also been investigated.  相似文献   

20.
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   

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