Crystal Structure and Third-order Nonlinear Optical Property Studies on Copper(Ⅱ) Complex Containing NS Donor Ligand

Recently,thestudyofrelationshipsbetweenstructureandpropertyforseriesofcompoundhavingenhancedopticalnonlinearityhasincreaseourunderstandingofwhatmolecularleveIdesigncriteriaareimPortantformaximizingthesecondandthethird-ordernonlinearity'.lngeneral,thesestudieshavefocusedonmanipulationoftheeffectiveconjugationlengthforavarietyofn-electronbackbones,mostlyrelatedto.-PvariousorganiccomPoundscontainingdonorandacceptorgroups'.InthispaPer,wewillstudytheinteractionamongdonor-metal-donorinx-conjugation…     

Synthesis,Crystal Structure and Luminescent Property of a Zn(Ⅱ) Complex Based on 4-Imidazole-carboxylate Ligand

A new complex, [Zn(L)_2](1), has been hydrothermally prepared by the reaction of ZnSO_4·7H_2O with 2-(1H-imidazol-4-yl)benzoic acid(HL) incorporating 4-imidazolyl and carboxylate functional groups, and characterized by single-crystal X-ray diffraction, elemental analysis, IR spectroscopy and powder X-ray diffraction(PXRD). Complex 1 crystallizes in monoclinic, space group C2/c with a = 9.8349(9), b = 7.4947(7), c = 24.104(2) ?, β = 92.889(2)o, V = 1774.4(3) ?~3, Z = 4, C_(20)H_(14)N_4O_4 Zn, M_r = 439.72, D_c = 1.646 g/cm~3, μ = 1.422 mm~(-1), S = 1.003, F(000) = 896, the final R = 0.0395 and wR = 0.0874 for 11386 observed reflections(I 2σ(I)). Single-crystal X-ray structural analysis reveals that complex 1 features a two-dimensional(2D) framework with 6~3-hcb topology. Moreover, the photoluminescent property of 1 was also discussed.     

Studies on the Crystal Structure and Photoluminescence of a Mercury(Ⅱ)Complex Based on a Novel Pyridine Ligand

<正>A novel mercury(n)complex HgL_2Br_2 was prepared from HgBr_2 and the organic ligand 2-(N-methyl-N-(4-((E)-2-(pyridine-4-yl)vinyl)phenyl)amino)ethanol(L).The ligand was synthesized and then characterized by FT-IR spectroscopy,~1H NMR,mass spectrum and elemental analysis,while the single-crystal diffraction data of the complex were collected on a Siemens Smart CCD diffractometer.The complex crystallizes in triclinic space group P_1~-with a=5.367(5),b= 12.466(5),c=23.945(5)(?),α=90.812(5),β=96.318(4),γ=96.093(5)°,Z=2,D_c=1.817g·cm~(-3),μ=7.395 mm~(-1),S=0.825,and the final R=0.0396.The Hg(Ⅱ)ion in the distorted tetrahedral mercury(Ⅱ)complex C_(32)H_(36)HgBr_2N_4O_2 is coordinated by two N atoms from the two ligands together with two bromide ions.Solid-state emission of the ligand and its complex has been investigated at room temperature.     

Synthesis,Crystal Structure and Norbornene Polymerization of a Palladium(Ⅱ) Complex Based on Phenoxyimine Ligand

The title complex N,O-bis{2-[[(2,6-benzhydryl-4-methylphenyl)imino]-methyl]-phenol}-palladium(II)(C_(80)H_(64)N_2O_2 Pd) has been synthesized by the reaction of 2-[[(2,6-benzhydryl-4-methylphenyl)imino]-methyl]-phenol with Pd(CH_3COO)_2, and characterized by IR spectrum and elemental analysis. The spatial structure of the complex has been verified by single-crystal X-ray diffraction analysis. The compound belongs to the monoclinic system, space group P21/n with a = 13.492(3), b = 16.924(3), c = 14.135(3) ?, β = 97.84(3)°, V = 3197.4(11) ?~3, C_(80)H_(64)N_2O_2 Pd, Mr = 1191.73, Z = 2, Dc = 1.238 Mg/m~3, μ = 0.339 mm~(-1), F(000) = 1240, T = 293(2) K, the final R = 0.0593 and wR = 0.1192(I 2s(I)). The compound showed excellent catalytic activity up to 1.130 × 10~7 g of PNB(mol of Pd)~(-1)h~(-1) for the addition polymerization of norbornene by using methylaluminoxane(MAO) as a cocatalyst.     

Hydrothermal Synthesis,Crystal Structure and Fluorescent Property of a Cd(Ⅱ) Complex Based on Biimidazole and Isonicotinate-N-oxide

A new complex [Cd(H2biim)2(H2O)2]·(ino)2·4H2O (H2biim = 2,2'-biimidazole, ino = isonicotinate-N-oxide) has been prepared and characterized by single-crystal X-ray diffraction analysis, IR and fluorescence spectra analysis. The crystal is of triclinic system, space group P1 with a = 7.5380(6), b = 8.0402(7), c = 13.5094(11) , α = 104.269(1), β = 93.604(1), γ = 98.349(1)°, V = 780.93(11) 3, Mr = 765.00, Dc = 1.627 g/cm3, F(000) = 390, μ = 0.776 mm-1 and Z = 1. The final R = 0.0322 and wR = 0.0825 for 7038 observed reflections with I 2σ(I) and R = 0.0341 and wR = 0.0832 for all data. The title complex exhibits an infinite chain-like structure through bridging isonicotinate-N-oxide. Strong interchain hydrogen bonds between isonicotinate-N-oxide and H2biim result in the robust 3-D supramolecular architecture. Moreover, the complex shows strong photoluminescence with emission maximum at λ = 401 nm upon λex = 330 nm.     

Crystal Structure,Electrochemical Properties and Third-order Nonlinear Optical Response of 4-Methyloxy benzaldehyde Thiosemicarbazone and Its Copper(Ⅱ)Complex

Thecurrentsurgeofinterestinthefield0fnon-linearoptics(NL0)isderivedbothfromaquestforafundamentalunderstanding0fthenon-linearprocess,anditSimPortanceinthetechn0logyofphotonics.Amongnon-linearphen0mena,thethird-ordernon-linearophcsoccuPyanimPortantp0sihonbecauseitprovidesthemechanicsforophcalswitching,ophcallogic,andreal-hmeholograPhy"'.0rganicmaterialwithextendednconjugahonsandlargeRdelocalizahonsarewellknownastheimPortantmaterialsofachievinglargethird-ordernonlinearihes3.ForexamPle,thiosen…     

Synthesis,Crystal Structure and Electrochemistry Properties of a Cobalt(Ⅱ) Complex Based on Asymmetry Schiff Base Ligand

A new cobalt(II) complex [Co(NO2-salen)2]·1.5H2O containing mono acetalization Schiff base ligand(NO2-salen = N-5-nitro-salicylideneamino ethanato) has been prepared through one-pot template condensation, and has been structurally characterized by elemental analysis, IR spectra and X-ray diffraction. It is formulated as C18H23CoN6O7.5, crystallizes in the hexagonal system, space group of R-3c with α = 25.895(18), b = 25.895(18), c = 35.075(6), γ = 120o, V = 20368(3) and Z = 36. The ligand of 5-nitrosalicylaldehyde-ethylene-diamine takes unusual mono asymmetry mode. The Co(II) ion exhibits a coordination number of six, and assumes a distorted octahedral geometry with a N2O4 donor set. The neutral monomeric units of [Co(NO2-salen)2]·1.5H2O are linked into a one-dimensional(1D) structure via the intermolecular hydrogen bonds and weak π-π stacking interactions. Cyclic-voltammetry measurement reveals the oxidation and reduction processes for the complex are irreversible in nature.     

Synthesis,Crystal Structure,Theoretical Calculation,and Photophysical Property of a New Cd(Ⅱ) Complex Based on N-heterocyclic Ligand and Isophthalic Acid

A new metal-organic coordination complex[Cd(imp)(m-bdc)]_n (1,ipm=5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methoxyphenol,m-bdc=isophthalic acid) has been synthesized by hydrothermal reaction and characterized by elemental analysis,thermogravimetric (TG) analysis,infrared spectrum (IR) and single-crystal X-ray diffraction.Complex 1 crystallizes in monoclinic,space group C2/c with a=15.373(5),b=16.719(5),c=19.406(6)A,β=106.995(5)°,V=4770(2)A³,C₂₈H₁₈Cd N₄O₆,M_r=618.86,D_c=1.724 g/cm³,μ(Mo Kα)=0.971 mm^–1,F(000)=2480,Z=8,the final R=0.0391 and w R=0.1044 for 4701 observed reflections (I>2σ(I)).Single-crystal X-ray diffraction reveals that 1 exhibits a one-dimensional (1D) double-chain architecture,and the H-bond intersections link the 1D double-chain architecture into a 2D layer structure.TG analysis shows clear courses of weight loss,which corresponds to the decomposition of different ligands.We also study the luminescent properties of complex 1.In addition,to elucidate the essential electronic characters of this complex,theoretical calculation analysis was performed by the PBE0/LANL2DZ method in Gaussian 03 Program.     

Synthesis,Crystal Structure and Luminescence Properties of a Cadmium(Ⅱ) Complex Based on 2-Hydroxy-6-methylisonicotinic Acid

A new cadmium(Ⅱ) complex[Cd(Hminic)(IP)]_n(1,Hminic = 2-hydroxy-6-methylisonicotinic acid,IP = imidazo[4,5-f]-l,10-phenanthroline),has been synthesized by the reaction of a Hminic and auxiliary N-containing ligands with Cd(Ⅱ) ion under hydrothermal conditions.The complex was studied by elemental analysis,IR spectroscopy and X-ray crystallography.It is formulated as C_(20)H_(13)CdN_5O_3,crystallizes in monoclinic system,space group C2/c with α=9.6764(8),b = 26.767(2),c = 14.1332(11) A and β= 97.4510(10)°.V= 3629.7(5) A~3,Z = 8,Mr=483.75,D_c = 1.770 g/cm~3,F(000) = 1484 and μ= 1.237 mm~(-1).The final refinement gave R = 0.0309 and wR = 0.0703 for 4151 reflections with I 2σ(I).In the structure of 1,two Cd(Ⅱ) atoms are joined by a pair of μ_2-hydroxyl oxygen atoms giving rise to a dinuclear Cd(Ⅱ) unit which is bridged by Hminic linkers to form a 1D ladder-like polymer chain.The chelating ligand IP coordinated to the Cd(Ⅱ) atom,and alternately attached to both sides of the ladder-like polymer chain.Adjacent chains are further bound together by strong intermolecular hydrogen bonds and face-to-face π…πinteractions,resulting in the formation of a 3D supramolecular architecture.Furthermore,the thermal stability and luminescent properties of this complex and the free ligands have been investigated.     

Synthesis and Crystal Structure of a Copper(Ⅱ)Complex with Funnel-like Ligand Based on Calix[6]arene

The preparation method of a funnel like ligand derived from calix[6]arene and tris(2-pyridyl-methyl)anime has been improved.The Cu(Ⅱ)complex was obtained and ch...     

Crystal Structure of a Nickel(Ⅱ) Complex with Asymmetric L-Histidine Ligand

A novel nickel(Ⅱ) complex with L-histidine has been synthesized and solved by single-crystal X-ray diffraction analysis at physiological pH. The title complex (C7H16NiN4O6S, Mr= 343.01) crystallizes in monoclinic, space group P21 with a = 7.2194(7), b = 7.5968(7), c =12.2797(11) (A), β = 93.3110(10)°, V = 672.35(11) (A)3, Z = 2, Dc= 1.694 g/cm3, F(000) = 356,μ(MoKα) = 1.626 mm-1, T = 293(2) K, the final R = 0.0184 and wR = 0.0426 for 2207 observed reflections with I ＞ 2σ(Ⅰ). The complex provides insights into a possible structural arrangement between nickel (Ⅱ) and L-histidine which may be physiologically important and abundantly present in biological systems.     

Synthesis and Crystal Structure of Ni(Ⅱ) Complex with N-Salicylaldehyde-N''''-phenoxyacetylhydrazine Ligand

1INTRODUCTIONHydrazoneshavebeenattractingmuchatten-tionfromchemistsinrecentyearsbecauseoftheirbiologicalactivities,chemicalandindustrialversa-tility,andstrongtendencytochelatetotransitionmetals[1,2],lanthanidemetals[3]andmaingroupmetals[4,5].Inthehydrazonecomplexes,thehydra-zoneligandcanactasaneutralormononegativebidentateligand,orevenasadianionictridentateliganddependingonthedonoratomsoftheligandsandthereactionconditions.Ontheotherhand,variouscompoundsderivedfromphenoxyaceticacidareveryus…     

Crystal Structure,One-and Two-photon Excited Fluorescence and Bioimaging of a D-π-A Structural Triphenylamine Derivative

An electron donor-π-bridge-electron acceptor(D-π-A) optical functional organic compound comprising a triphenylamine moiety as the electron donor and pyridine moiety as the electron acceptor was synthesized. The structure of the compound was solved by single-crystal X-ray diffraction analysis. It crystallizes in monoclinic, space group P21, with a = 9.753(5), b = 8.815(5), c = 25.554(5) ?, β = 96.315(5)°, V = 2184(2) ?~3, Z = 2, D_c = 1.136 g/m~3, F(000) = 792, Μr = 746.92, μ = 0.069 mm~(-1), the final R = 0.0658 and wR = 0.1730 for 6790 observed reflections with I 2(I). Study of nonlinear optical properties shows that the compound exhibits excellent two-photon excited fluorescence with the two-photon absorption cross-section value of 116 GM. The structure-property relationship was researched in detail through X-ray crystallography and quantum chemical calculation. Result of living cell imaging experiment shows its potential in fluorescence microscopy bioimaging.     

Synthesis,Crystal Structure and Thermal Stability of a New Cadmium(Ⅱ) Polymer Based on 1H-pyrazole-3-carboxylic Acid Ligand

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.     

Synthesis and Crystal Structure of a New 2D Honeycomb-like Cadmium(II) Complex with Tripodal Ligand

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Synthesis,Crystal Structure and DNA-Binding Property of a New Cu(Ⅱ) Complex Based on 4-(Trifluoro-methyl)nicotinic Acid

A new complex[Cu_1.5(tfc)₃(H₂O)₄]·3H₂O (1,Htfc=4-(trifluoro-methyl) nicotinic acid) has been synthesized and characterized by X-ray single-crystal diffraction,elemental analysis,IR spectra and thermogravimetric analysis.1 belongs to orthorhombic system,space group Pccn with a=44.507(2),b=10.7710(6),c=11.7544(7)?,V=5634.9(6)?³,Z=1,D_c=1.803 mg·cm^-3,F(000)=3068,μ=1.266 mm^-1,the final R=0.0488and w R=0....     

Synthesis,Crystal Structure and Nonlinear Optical Properties of Nickel（Ⅱ） Complex with Schiff—base Ligand

1 INTRODUCTION Recently, the transition metal complexes and inorganic clusters have also been investigated as promising nonlinear optical materials[1～3]. In our past work, much more efforts have been made to find potential nonlinear optical derived from thiosemicarbazone and dithio-carbazates[4]. As a continuous study on new nonlinear optical materials among the -electron delocalized systems con- taining mixed sulfur and nitrogen donors[5, 6], we report herein the crystal structure and…     

Hydrothermal Synthesis,Crystal Structure and Properties of a Lanthanum(Ⅲ) Complex Based on a N,O-Donor Ligand

A novel metal-organic complex [La(o-NCP)3]n(o-HNCP = 2-(2-carboxyphenyl)imidazo(4,5- f)(1,10)-phenanthroline) has been hydrothermally synthesized and characterized by elemental analysis, infrared analysis and X-ray single-crystal diffraction. The complex crystallizes in triclinic, space group P1 with a = 9.898(2), b = 16.193(3), c = 16.909(3) , α = 67.68(3), β = 80.85(3), γ = 78.78(3)o, V = 2448.2(8) A3, Z = 2, Mr = 1156.9, Dc = 1.569 g/cm3, μ = 0.71073 A, F(000) = 1164, GOOF = 1.065, the final R = 0.051 and wR = 0.123 for 8539 observed reflections with I 2A(I). The complex exhibits a one-dimensional double chain structure. The adjacent chains are further connected by N–H...N hydrogen bonds which help to form a two-dimensional supramolecular architecture. Furthermore, the complex exhibits excellent thermal stability and luminescent property.     

Synthesis,Crystal Structure and Magnetic Property of a Novel Cu(Ⅱ)-Fluconazole-azide Complex

The title compound formulated as Cu2(C13H11N6OF2)(N3)3CH3OH was synthesized and structurally characterized by elemental analysis,IR and single-crystal X-ray diffraction.In the structure of the complex,the deprotonated fluconazole and azide anion link two copper centers to construct a binuclear SBU and the azide anion exhibits a μ1,1-coordination mode.Each triazole group of fluconazole links two SBUs and the compound exhibits a chain-like architecture with strong antiferromagnetism.