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1.
Hydrothermal reactions of 5-(tetrazol-5-yl) isophthalic acid with cadmium nitrate/praseodymium nitrate led to two complexes of [Cd_3(TZI)_2(H2_O)_(11)]_n(1) and [Pr(TZI)(H_2O)_5]_n(2). Their structures and properties were determined by X-ray diffraction, IR spectroscopy, fluorescence spectrum, thermal gravimetric analyses and elemental analysis. Complex 1 belongs to monoclinic system, I2/c space group, with a = 12.8688(3), b = 18.0925(3), c = 14.5190(3) ?, β = 116.054(3)°, V =3036.92(13) ?~3, Z = 4; complex 2 crystallizes in triclinic, space group P 1, with a = 7.9690(5), b =9.7665(8), c = 10.4353(9) ?, α = 116.709(9), β = 107.461(6), γ = 95.671(6)°, V = 665.54(9) ?3 and Z =2. Complex 1 is a 3D planar structure. Complex 2 is a one-dimensional double chain configuration and extends into a 3D network by hydrogen bonds and π-π interactions.  相似文献   

2.
《结构化学》2020,39(4):765-771
A new complex [Mn(DHTA)(bipy)_(0.5)]n(1, H_2 HTA = 2,5-dihydroxy-1,4-benzenedicarboxylic acid, bipy = 2,2'-bipyridine) was hydrothermally synthesized and structurally characterized by elemental analysis, IR spectrum, single-crystal and power X-ray diffraction. It belongs to monoclinic system, C2/c space group with a = 12.874(13), b = 11.302(12), c = 17.352(18) ?, β = 101.574(15)°, V = 2474(4) ?3 and Z = 4. It displays a one-dimensional zigzag chain-like structure, which was further extended into a three-dimensional supramolecular structure by hydrogen bonds and π-π interactions. Moreover, we analyzed Natural Bond Orbital(NBO) of 1 in using the PBE0/LANL2 DZ method built in Gaussian 03 Program. The calculation results show the obvious covalent interaction between the coordinated atoms and Mn(Ⅱ) ion.  相似文献   

3.
Two new mononuclear complexes, namely [Co(L)_2](1) and [Mn(L)_2](2)(HL = N-(3-methylsalicylidene)tryptamine), have been synthesized by the reactions of the ligand with cobalt acetate or manganese acetate in anhydrous ethanol. The crystal structures of the complexes were characterized by IR spectrum, elemental analysis, PXRD and single-crystal X-ray diffraction analysis. Complex 1 crystallizes in monoclinic, space group C2/c, with a = 23.146(2), b = 9.4864(10), c = 13.9261(15) ?, β = 102.898(2)°, V = 2980.6(5) ?3, Z = 4, Dc = 1.367 g/cm3, F(000) = 1284 and μ = 0.616 mm-1. Complex 2 crystallizes in monoclinic, space group P21/n, with a = 14.807(11), b = 13.118(10), c = 16.663(13) ?, β = 111.237(14)°, V = 3017(4) ?3, Z = 4, Dc = 1.342 g/cm~3, F(000) = 1276 and μ = 0.477 mm-1. The units of complex 1 are linked by intermolecular N–H···π hydrogen bonds into infinite 1D chains, which are further extended into a 3D supramolecular structure by a series of π···π stacking interactions. The units of complex 2 are linked by intermolecular N–H···π hydrogen bonds and C–H···π hydrogen bonds into an infinite 3D supramolecular structure. Meanwhile, the antibacterial activities of the ligand and its complexes have been tested against four kinds of bacteria. The results show that the three compounds all have excellent antibacterial activities and that 1 and 2 possess stronger inhibiting effects against the bacteria than the Schiff base.  相似文献   

4.
A new Cd(Ⅱ) coordination polymer, [Cd_(0.5)(nba)(bib)_(0.5)]_(2n)(1, Hnba = 4-nitrobenzoic acid, bib = 1,4-bis(imidazol-1-yl)-butane), was synthesized at room temperature condition and characterized by IR spectra, elemental analyses, single-crystal and powder X-ray diffractions. Complex 1 belongs to the monoclinic system, C2/c space group, with a = 26.0600(14), b = 6.7889(4), c = 16.5825(9) ?, β = 118.8120(10)°, V = 2570.6(2) ?3, Z = 4. It shows one-dimensional chains and is further linked by π-π stacking interactions to yield a three-dimensional supramolecular structure. Thermal stability and luminescence of 1 were investigated.  相似文献   

5.
A novel coordination polymer, namely [Zn_2(CAPA)(DMA)(H_2O)]_(2n)·n(H_2O)(1,H_4CAPA = 5-(bis(4-carboxybenzyl) amino) isophthalic acid, DMA = N,N-dimethylacetamide) has been synthesized through a solvothermal method and characterized by single-crystal X-ray diffraction, elemental analysis, infrared spectra, and thermogravimetric analyses. The crystal structure is of monoclinic, space group P21/n with a = 8.0585(5), b = 18.9733(10), c = 20.2044(14) ?, β = 101.144(7)o, V = 3030.9(3) ?~3, C_(56)H_(54)Zn_4N_4O_(21), M_r = 1378.58, Z = 2). The compound forms a three-dimensional(3D) supramolecular framework by linking adjacent layers via hydrogen bonds and π···π interactions. It is interesting that the crystal structure is much related to the flexibility and configuration of the ligand. In addition, the thermal stability and luminescence properties for the compound have also been investigated.  相似文献   

6.
In this work, we synthesized a new Cd(Ⅱ) coordination polymer, [Cd(L)(cmb)H_2O]· H_2O(1), by using mixed 2-(carboxymethoxy)benzoic acid(H2 cmb) and typical chelating N-donor ligands 2-(2-fluoro-6-fluorophenyl)-1 H-imidazo[4,5-f][1,10]phenanthroline ligand(L). 1 crystallizes in monoclinic, space group P21/c with a = 17.6150(8), b = 9.7811(4), c = 18.1603(8) ?, β = 118.9150(10)o, V = 2738.9(2) ?~3, Z = 4, C28 H20 CdF2 N4 O7, Mr = 674.88, Dc = 1.637 g/cm3, F(000) = 1352, μ(Mo Ka) = 0.865 mm–1, R = 0.0643 and w R = 0.1976. In 1, the cmb2– anions link neighboring Cd(Ⅱ) atoms in a bis-chelating mode, yielding a one-dimensional chain structure along the b axis. The L ligands are attached on one side of the chain through chelating the Cd(Ⅱ) atoms, and are stacked with those of an adjacent chain through π-π interactions to generate a one-dimensional double-chain structure. Furthermore, the one-dimensional double-chains are stacked by C–H???π interactions between the carbon atom of L ligand and the benzene ring of cmb2–ligand to give a layer structure. Moreover, the solid state luminescent property of 1 was also investigated at room temperature.  相似文献   

7.
A new cobalt complex with flavonoid carboxylate ligand was synthesized and characterized. X-ray diffraction data revealed that the compound crystallizes in the monoclinic crystal system, space group P2_1/c with a = 7.936(3), b = 21.475(7), c = 20.010(7) ?, β = 102.856(14)o, V = 3325(2) ?~3, Z = 4, C_(34)H_(32)CoO_(15), M_r = 739.53, D_c = 1.477 g/cm~3, F(000) = 1532, μ = 0.591 mm~(-1), R = 0.1123 and w R = 0.1419. In the crystal structure, the Co(Ⅱ) shows 6 coordination geometry, and the flavonoid ligand coordinated with the Co(Ⅱ) ion in a monodentate mode. Hydrogen bonding interactions and π-π stacking interactions lead to the three-dimensional stacking of crystal and increase its stability. Moreover, the thermal stability and luminescent properties of the complex are also investigated. The fluorescence of the complex shows a great reduction of the intensity than that of the ligand.  相似文献   

8.
Solvothermal reaction of imidazolyl-based synthon with deprotonated adipic acid produced a new coordination complex {[Zn(BIDPE)(hdc)]·2 H_2O}n(1). The structure was characterized by single-crystal X-ray crystallography. It crystallizes in monoclinic, space group C2/m, at 293 K: a = 12.005(2), b = 17.956(3), c = 12.039(2) ?, β = 113.089(3)°, V = 2387.3(7) ?~3, Z = 4, Dc = 1.524 g·cm-3, μ(Mo Ka) = 1.082 mm–1 and F(000) = 1136. 5942 reflections were measured and 2180 independent reflections(Rint = 0.0679) were used in further refinement. Complex 1 reveals 1D double-stranded chains containing [Zn_2(BIDPE)_2] and [Zn_2(hdc)_2] metallocyclic rings. The adjacent chains are linked by H-bonding and π···π interactions to form a 3D network. Thermal stability and luminescence property were studied. Interestingly, the luminescent emission of 1 can be quenched by the addition of trace amount of acetone, demonstrating its potential application for sensitive detecting acetone.  相似文献   

9.
A novel mixed-ligand coordination polymer [Pb(phen)(NNDS)(H2O)]n·n H2O(1) was obtained from the reaction of 1,10-phenanthroine(phen), Pb(OAc)2 and sodium 1-nitroso-2-naphthol-3,6-disulfonate(Na2NNDS) in a mixed solvent. The complex was characterized by elemental analysis, IR and X-ray single-crystal diffraction. Crystal data for 1: monoclinic, space group P21/c, a = 11.5835(9), b = 14.6334(11), c = 13.9030(11) ?, β = 98.4180(10)o, V = 2331.3(3) ?3, Z = 4, Mr = 754.70, Dc = 2.150 mg/m3, μ = 7.483 mm-1, F(000) = 1456, the final R = 0.0430 and w R = 0.0841 for 4221 observed reflections with I 2σ(I). The Pb(II) center is coordinated by six O and two N atoms showing a distorted dodecahedron configuration. The multidentate ligand of NNDS dianion exhibits peculiar coordination mode, and the two O atoms of two sulfonate anions bridge two Pb(II) cations into a dimer, and the O atom of nitroso group links the other dimer into 2D sheets extending in the [011] plane. There exist significant π-π stacking interactions between adjacent phen and NNDS. The 3D network is formed by 2D sheets interlinked by hydrogen bonds and π-π stacking interactions. The thermostability of 1 was investigated by TG and DSC.  相似文献   

10.
Two 1-methyl-1H-benzo[d]imidazole derivatives, C_(18)H_(14)CuN_4O_4·C_4H_8O_2(1) and C_9H_9N_3O(2), have been synthesized and characterized by NMR, MS, FT-IR, elementary analysis and X-ray single-crystal diffraction. Compound 1 crystallizes in monoclinic, space group P2_1/n with a = 9.6888(3), b = 7.3772(2), c = 14.3277(4) ?, β = 95.819(3)°, V = 1018.81(5) ?~3, M_r = 501.98, Z = 2, D_c = 1.636 g/cm~3, F(000) = 518, μ = 1.123 mm~(-1), MoKα radiation(λ = 0.71073 ?), the final R = 0.0325 and wR = 0.0859 for 1821 observed reflections with I 2σ(I). Compound 2 crystallizes in monoclinic, space group C2/c with a = 14.2908(14), b = 14.4268(13), c = 8.4802(6) ?, β = 108.513(9)o, V = 1657.9(3) ?~3, M_r = 175.19, Z = 8, D_c = 1.404 g/cm~3, F(000) = 736, μ = 0.097 mm~(-1), Mo Kα radiation(λ = 0.71073 ?), the final R = 0.0563 and wR = 0.1531 for 1231 observed reflections with I 2σ(I). Intermolecular(N-H···N, N-H···O) and intramolecular(N-H···N, C-H···O) hydrogen bonds, as well as C-H···π and π-π stacking interactions, help to stabilize the crystal structure of compound 2.  相似文献   

11.
The new manganese(Ⅱ) coordination compound, [Mn(Cl)_2(L)_2](1, L = 11-fluorodipyrido[3,2-a:2?,3?-c]phenazine), has been achieved under hydrothermal conditions. The structure of compound 1 was determined by single-crystal X-ray diffraction. 1 crystallizes in monoclinic system, space group C2/c with a = 8.419(2), b = 12.286(2), c = 28.451(6) ?, β = 95.889(3)°, V =2927.5(10) ?~3, Z = 4, C_(36) H_(16) MnF_2 Cl_2 N_8, M_r = 724.41, D_c = 1.644 g/cm~3, F(000) = 1460, μ(Mo Ka)= 0.691 mm~(-1), R = 0.0445 and wR = 0.0982. Adjacent compounds are stacked by one type of π-πinteraction among L ligands to generate a 1D supramolecular chain. Further, the 1D supramolecular chains are stacked by another type of π-π interaction among L ligands to give a 2D supramolecular layer. Moreover, the C-F···π interactions between the carbon atom of the L ligand and the pyrazine ring of the adjacent L ligand further stabilize the supramolecular layer of 1. In addition, natural bond orbital(NBO) analysis has been calculated by the B3LYP/LANL2DZ method, which shows obvious covalent interaction between the coordinated atoms and Mn(Ⅱ) ion.  相似文献   

12.
A new complex with the formula [Co(acac)_2(NITQ)_2]×2CH_2Cl_2 1(acac = acetylacetone, NITQ = 2-(2′-quinoxalinyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide), was synthesized and elucidated structurally as well as magnetically in detail. The crystal belongs to the monoclinic system, space group P2_1/c with a = 9.6896(1), b = 20.539(4), c = 12.147(2) ?, β = 93.84(3)°, M_r = 997.65, V = 2412.1(8) ?~3, Z = 2, Dc = 1.374 g/cm, F(000) = 1038, m = 0.635 mm~(-1), the final R = 0.0539 and w R = 0.1289 for 5998 observed reflections(I 2σ(I)). The Co(Ⅱ) ion is coordinated by two nitrogen atoms of quinoxaline rings from two NITQs and four oxygen atoms from two acac ions to complete a distorted octahedral coordination environment. Compound 1 is further linked into a three-dimensional(3D) supramolecular network by hydrogen-bonding, Cl×××O weak contact and π···π stacking interactions. The magnetic measurements show compound 1 exhibits weak ferromagnetic interactions.  相似文献   

13.
A new coordination polymer, [(C_(18)H_(16)N_4O_(18)Y_2)(H_2O)]n, has been hydrothermally synthesized by reacting yttrium(Ⅲ) nitrate with 5-aminonicotinic acid and ammonium oxalate at a molar ratio of 1:1:1, and its structure was determined by X-ray crystallography with the following data: monoclinic system, space group C2/c, a = 13.4507(10), b = 11.5829(9), c = 16.3448(9) ?, a= 89.983(6), β = 109.056(6), g = 90.047(6)°, Z = 4, V = 2406.92(14) ?~3, F(000) = 1536, D_c = 2.13079 g/cm~3, R = 0.0284(1695) and w R = 0.0787(2014). In the asymmetric unit of the compound, each Y(Ⅲ) ion is bonded to eight oxygen atoms from 5-aminonicotinic acid and oxalate groups and terminal-coordinated water molecule, resembling a highly distorted tricapped trigonal geometry. Adjacent three yttrium atoms are bridged by three identically independent oxalate groups in a side-by-side manner to form brickwall-like 2D sheets, and these sheets are further linked through π-π stacking interactions to generate a 3D supramolecular network. The photoluminescent property of the complex was investigated and the iodine capture studies show that the porous frameworks have reversible absorption ability for iodine molecule.  相似文献   

14.
A new Mn(Ⅱ) coordination polymer {[Mn(timb)_2(H_2O)_2]·(Cl)_2·(H_2O)_2}n (1, timb =1,3,5-tris-(imidazol-1-ylmethyl)benzene) has been synthesized and characterized by elemental analysis, IR, TG and single-crystal X-ray diffraction. The title compound crystallizes in the triclinic system, space group P~-1 with a = 9.0774(13), b = 9.8720(15), c = 11.4898(16) (A), α = 93.378(3), β =95.471(3), γ = 101.101(3)°, V= 1002.6(3) (A)~3, M_r = 834.67, D_c = 1.382 g/cm~3,μ(Moka) = 0.517mm~(-1), F(000) = 435, GOF = 0.986, Z = 1, the final R = 0.0506 and wR = 0.1139 for 3517 observed reflections I> 2σ(I). It consists of one-dimensional double stranded chains formed through bridging bidentate timb ligands, and these chains are further connected to yield a 3D supramoleeular framework by hydrogen bonding interactions and π…π stacking interactions.  相似文献   

15.
Two new isostructure nickel(Ⅱ) coordination polymers, [Ni_2(5-Me-ip)(1,2-Bie)(H_2O)_2]_n(1) and [Ni2(5-Br-ip)(1,2-Bie)(H_2O)_2]n(2)(5-Me-H2 ip = 5-methylisophthalic acid, 5-Br-H2 ip = 5-mromoisophthalic acid, 1,2-Bie = 1,2-bis(imidazole)ethane), have been synthesized and structurally characterized by single-crystal X-ray diffraction. The result shows that complexes 1 and 2 crystallize in orthorhombic system, space group Pna21 with a = 16.3602(13), b = 10.1465(8), c = 21.8803(17) ?, V = 3632.1(5) ?3, Z = 4, D3 c = 1.525 g/cm, F(000) = 1728, R = 0.0292 and wR = 0.0668 for 6646 observed reflections(I 2σ(I)) for complex 1 and a = 16.409(3), b = 10.1625(17), c = 21.918(4) ?, V = 3654.9(11) ?3, Z = 4, Dc = 1.752 g/cm~3, F(000) = 1936, R = 0.0309 and wR = 0.0600 for 6809 observed reflections(I 2σ(I)) for complex 2. They both feature zigzag 2D layer structures, which are further staked along the a-axis through π···π and hydrogen interactions to form 3D supramolecular structures.  相似文献   

16.
A new dimeric Mn(Ⅱ) complex,namely,[Mn(L)(PIP)]_2·H_2O(1),was synthesized under hydrothermal condition(H_2L = 3-carboxy-1-carboxymethyl-2-oxidopyridinium and PIP = 2-(pyridin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline).It crystallizes in triclinic,space group P1 with a = 9.2037(13),b = 9.6794(13),c = 14.649(3) ?,α = 94.858(3),β = 94.928(3),γ = 114.468(2)o,V = 1172.9(3) ?~3,Z = 1,C_(52)H_(34)Mn_2N_(12)O_(11),Mr = 1112.79,Dc = 1.575 g/cm~3,F(000) = 568,μ(Mo Ka) = 0.618 mm~(-1),R = 0.0432 and w R = 0.1151.In 1,two L anions bridge two Mn(Ⅱ) atoms to give a dimeric [Mn(L)(PIP)] unit with the Mn···Mn distance of 3.009(2) ?.The two PIP ligands are located on both sides of the dimer,which provides suitable π-π stacking interactions between PIP ligands.By these π-π stacking interactions,adjacent dimers are extended into a two-dimensional supramolecular layer.Further,the strong N–H···O hydrogen bond stabilizes the supramolecular layer structure of 1.Moreover,the thermal behavior and luminescent property of 1 have been studied.  相似文献   

17.
Two novel complexes [Ag L~1(NO_3)H_2O]_n(1) and [Pb L_2(NO_3)_2]_n(2) were synthesized by the evaporation reaction with metal salts and Schiff base ligands. They were characterized by elemental analyses, IR spectra and X-ray single-crystal diffraction. 1 crystallizes in monoclinic, space group P21/c with a = 18.358(3), b = 10.0395(15), c = 13.4643(16) ?, β = 91.749(12)o, V = 2480.4(6) ?3, Dc = 1.597 g/cm~3, Mr = 596.35, F(000) = 1208, Z = 4, R = 0.0772 and w R = 0.0927. 2 crystallizes in monoclinic space group C2/c with a = 15.8549(10), b = 21.1988(17), c = 17.7198(12) ?, β = 105.829(8)o, V = 5729.9(7) ?~3, Dc = 1.645 g/cm~3, Mr = 709.63, F(000) = 2736, Z = 8, R = 0.0541 and w R = 0.1175. X-ray single-crystal diffraction experiments of 1 and 2 display that extensive π×××π stacking interactions and hydrogen bonds construct into a 2D rectangular network and a 3D supramolecular framework. The antibacterial properties of L1, L2, 1 and 2 were also studied.  相似文献   

18.
Two new coordination polymers,named {[Co_3(pfca)_6(phen)_2]·2H_2O}_n(1) and[Cu(pfca)_2(4,4'-bpy)(H_2O)]_n(2)(Hpfca = 4-fluorocinnamic acid and 4,4-bpy = 4,4-bipyridine),were hydrothermally synthesized and characterized by elemental analysis,IR spectroscopy,thermogravimetric analysis(TGA),and single-crystal X-ray diffraction.Complex 1 crystallizes in the triclinic crystal system,space group P_1 with a = 10.939(3),b = 12.430(4),c = 13.815(4) A,α=78.436(3),β= 70.261(3),γ= 80.268(3)°,V= 1721.8(9) A~3,D_c = 1.508 g/cm~3,M_r= 1564.06,Z = 1,F(000) = 799,μ= 0.802 mm~(-1),the final R = 0.0432 and wR = 0.1015 for 13250 observed reflections with I 2σ(I).Complex 2 is of monoclinic system,space group P2\lc with a =15.4985(14),b = 15.8424(14),c = 10.9528(10) A,β= 107.1600(10)°,V= 2569.6(4) A~3,D_c = 1.468g/cm~3,M_r = 568.02,Z = 4,F(000) = 1164,μ= 0.906 mm~(-1),the final R = 0.0371 and wR = 0.0842 for 18183 observed reflections with I 2σ(I).Complex 1 features linear Co(Ⅱ)-trinuclear units,which are assembled into a final 3D supramolecular structure through π…π stacking interactions and F-H weak interactions.Complex 2 consists of 1D polymeric Cu(Ⅱ)-chains that are further cohered together by extensive H-bonds.  相似文献   

19.
A novel Cd(Ⅱ) coordination polymer with diacylhydrazide ligand N,N?-bis(3-methoxysalicyl)-2,6-pyridinedicarbohydrazide(H_6msphz),[Cd_2(H_2msphz)(Py)_4]_n(1,Py = pyridine) has been synthesized through solvothermal reaction and structurally characterized by single-crystal X-ray diffraction,IR,TGA and PXRD investigations. It crystallizes in triclinic system,space group P1,with a = 11.0230(11),b = 11.7264(15),c = 17.3395(14) ?,α = 70.520(9),β = 84.806(7),γ = 81.965(9)°,V = 2089.9(4) ?~3,Dc = 1.638 gcm~(–3),μ = 1.083 mm~(-1),F(000) = 1032,Z = 2 and S = 1.040. In complex 1,the H_2msphz4-ligand uses not only its coordinated pocket to catch one Cd(Ⅱ) ion,but also its two terminal groups to chelate other two Cd(Ⅱ) ions,leading to the formation of a chain structure. The adjacent chains are further assembled together by two kinds of π-π interactions between the Py rings,resulting in the finial double layered supramolecular structure. In addition,complex 1 is found to show photoluminescence in the solid state at room temperature,which can be ascribed to the intraligand π→π* transitions.  相似文献   

20.
A copper(Ⅱ) complex [LCu_2Cl_4]n was synthesized by a new bis-Schiff base ligand containing quinoline unit, 1,4-bis[2-(4-fluorophenyl)iminomethyl-8-quinolinoxy]butane(L). X-ray crystal structure shows that it is a binuclear complex, and the crystal belongs to the triclinic system, space group P1, with a = 9.387(2), b = 9.968(2), c = 10.291(2) ?, α = 87.532(3), β = 63.762(2), γ = 86.628(3)o, V = 862.1(3) ?~3, Z = 1, Dc = 1.640 Mg/m~3, F(000) = 428, R = 0.0416 and wR = 0.1141. Each Cu(Ⅱ) metal ion coordinates with a quinoline N atom, an imine N atom, an ether oxygen atom and three chlorides, forming a distorted six-coordinated octahedronal structure. Each copper(Ⅱ) complexation unit links with one of the adjacent ligand copper complexation units through the chlorido bridging groups, thus generating an infinite one-dimensional chain structure. Such 1D chains further construct a 2D network structure by π-π stacking interactions.  相似文献   

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