The title complex Pd(H2BDA)Cl2·2DMSO (C16H14Cl2N2O6PdS2, H2BDA = 2,2'- bipyridine-3,3'-dicarboxylic acid) has been synthesized and characterized by IR spectra, elemental analysis and ^1H NMR spectra. Its st...The title complex Pd(H2BDA)Cl2·2DMSO (C16H14Cl2N2O6PdS2, H2BDA = 2,2'- bipyridine-3,3'-dicarboxylic acid) has been synthesized and characterized by IR spectra, elemental analysis and ^1H NMR spectra. Its structure was determined by single-crystal X-ray diffraction analysis. The complex crystallizes in the monoclinic system, space group P2(1/c) with a = 1.3604(6), b = 1.2606(6), c = 1.3521 (6) nm, β = 103.677(7)°, V = 2.2530(17) nm^3, Mr = 571.75, Z = 4, Dc = 1.686 g/cm^3,μ = 1.280 mm^-1, F(000) = 1136, R= 0.0405 and wR= 0.0908. The complex presents a planar quadrangle arrangement and is assembled via hydrogen bonds.展开更多
Two mixed metal complexes [Cr2Fe(μ3-O) (μ-O2CC2H5)6Py3]Cl (A)and [CrFe2 (μ3-O) (μ-O2CC2H5 )6Py3] Cl (B) have been prepared in non-aqueous sol-vents. Crystal (A) is monoclinic, space group C2/c, with a= 13. 782(3),...Two mixed metal complexes [Cr2Fe(μ3-O) (μ-O2CC2H5)6Py3]Cl (A)and [CrFe2 (μ3-O) (μ-O2CC2H5 )6Py3] Cl (B) have been prepared in non-aqueous sol-vents. Crystal (A) is monoclinic, space group C2/c, with a= 13. 782(3), b= 18. 381(4), c= 16. 643(2) A, β= 92. 84(5)°, V=4211. 1 (4) A3, Z=4, Mr= 887. 03, Dc= 1. 40 g/cm3, μ= 5. 0 cm-1, F(000) = 1836 and R(Rw) = 0. 057(0. 062) for 2134 unique reflections with I> 3δ(I). Crystal (B) is also monoclinic, space group C2/c ,with a= 13. 793(4), b= 18. 401 (6), c= 16. 657(5) A’, β= 93. 18(3)°, V=4221. 3(5) A3, Z= 4, Mr=890. 88, Dc= 1. 40 g/cm3, μ= 10. 5 cm-1, F(000) = 1844 and R(Rw) = 0. 067 (0. 069) for 2131 unique reflections with I>3δ(I). Both (A) and (B)have been characterized by IR spectra. Besides, the relations between the structuresand IR are discussed.展开更多
The title complex, [Co_2(bpdc)_2(bim)_4]_n(bpdc=biphenyl-2,2′-dicarboxylate dianion, bim=benzimidazole), was synthesized in a aqueous solution and its crystal structure was determined by means of X-ray diffraction. T...The title complex, [Co_2(bpdc)_2(bim)_4]_n(bpdc=biphenyl-2,2′-dicarboxylate dianion, bim=benzimidazole), was synthesized in a aqueous solution and its crystal structure was determined by means of X-ray diffraction. There are two different coordinated Co(Ⅱ) centers in the complex. The Co1 center has a deformed trigonal-bipyramidal geometry, while the Co2 center possesses a tetrahedral geometry. In addition, the two different coordination modes of bpdc ligands act as two kinds of bridges to link Co1 and Co2, resulting in a catena chain.展开更多
A new mononuclear Cu(II) complex, [Cu(L)] (H2L = 4,4′,6,6v-tetrabromo-2,2′- [ethylenedioxybis(nitrilomethylidyne)]diphenol), has been synthesized and structurally characterized. X-ray crystal structure of th...A new mononuclear Cu(II) complex, [Cu(L)] (H2L = 4,4′,6,6v-tetrabromo-2,2′- [ethylenedioxybis(nitrilomethylidyne)]diphenol), has been synthesized and structurally characterized. X-ray crystal structure of the complex reveals that the Cu(Ⅱ) ion is four-coordinated by two oxygen atoms and two nitrogen atoms from L2- unit. Crystallographic data: monoclinic, space group P21/n with a = 14.076(2), b = 6.9801(14), c = 19.858 (2) A, β= 107.613(2)°, C16n10Br4CuN2O4, Mr = 677.44, V = 1859.6(5) A3, Dc = 2.420 g/cm3,μ = 9.796 mm^-1, F(000) = 1284, Z = 4, the final R = 0.0516 and wR = 0.0938 for 1879 observed reflections with I 〉 2σ(/). The dihedral angel between the two coordination planes of Cu(1)-N(2)--O(4) and Cu(1 )-N( 1 )-O(3)) is 30.08(6)°.展开更多
A new mononuclear copper (II) complex, [Cu(dbpy)2Cl]OH0.5CH3OH2H2O (dbpy = 4,4?dimethyl-2,2?bipyridine) (C24.50H31ClCuN4O3.50, Mr = 536.52) has been synthesized and its crystal structure was determined by X-ray diffra...A new mononuclear copper (II) complex, [Cu(dbpy)2Cl]OH0.5CH3OH2H2O (dbpy = 4,4?dimethyl-2,2?bipyridine) (C24.50H31ClCuN4O3.50, Mr = 536.52) has been synthesized and its crystal structure was determined by X-ray diffraction method. It crystallizes in monoclinic, space group P2/c with a = 13.383(6), b = 7.653(3), c = 14.164(6) ? b = 105.395(8), V = 1398.7(10) 3, Z = 2, Dc = 1.274 g/cm3, m = 0.908 mm-1, F(000) = 560 and R = 0.0773 for 1467 observed reflections with I>2s(I). Each copper(II) ion is coordinated by two dbpy and one Cl- ion and the coordination geometry can be described as a distorted trigonal bipyramidal arrange- ment.展开更多
Two new Cu(II) coordination polymers, [Cu(FDA)(BPY)(H20)]n (1) and {[Cu(FDA)(BPY)(H2O)].2H2O}n (2) (H2FDA = 2,5-furandicarboxylic acid, BPY = 2,2'-bipyridine), have been synthesized and structural...Two new Cu(II) coordination polymers, [Cu(FDA)(BPY)(H20)]n (1) and {[Cu(FDA)(BPY)(H2O)].2H2O}n (2) (H2FDA = 2,5-furandicarboxylic acid, BPY = 2,2'-bipyridine), have been synthesized and structurally characterized by single-crystal X-ray diffraction as well as elemental analysis and IR. Compound 1 crystallizes in monoclinic, space group P21/c, with a = 7.5915(15), b = 8.4050(17), c = 24.204(6) A, β = 99.05(3)°, V= 1525.1(6) A3, Dc = 1.706 g/crn3, C16HI2CuN206, Mr = 391.82, F(000) = 796, μ(MoKa) = 1.470 mm-l, Z = 4, R = 0.0633 and wR = 0.1059 for 2389 observed reflections (1 〉 2a(I)), R = 0.0738, and wR = 0.1098 for all data. Complex 2 belongs to triclinic space group PI with a = 8.8660(18), b = 8.9112(18), c = 12.525(3) A, a = 88.41(3), β = 69.38(3), γ = 66.95(3)°, V = 845.2(3) A3, Dc = 1.681 g/cm3, CI6HI6CuN2Os, Mr. = 427.85, F(000) = 438, μ(MoKα) = 1.342 mm-1, Z = 2, R = 0.0290 and wR = 0.0690 for 2767 observed reflections (I 〉 2σ(I)), R = 0.0329 and wR = 0.0706 for all data. Complexes 1 and 2 are both coordination polymers with one-dimensional chain structures bridged by the protonated FDA ligands, which are assembled into three-dimensional supramolecular structures through hydrogen bonding interactions and π-π packing interactions between the chains.展开更多
A new dimeric compound, [Zn(bpdc)(L)]2·4H2O(1, L = 11-fluoro-dipyrido[3,2-a:2',3'-c]phenazine and bpdc = 1,1'-biphenyl-2,2'-dicarboxylate), has been synthesized under hydrothermal conditions and charac...A new dimeric compound, [Zn(bpdc)(L)]2·4H2O(1, L = 11-fluoro-dipyrido[3,2-a:2',3'-c]phenazine and bpdc = 1,1'-biphenyl-2,2'-dicarboxylate), has been synthesized under hydrothermal conditions and characterized by single-crystal X-ray diffraction. It crystallizes in monoclinic, space group C2/c with a = 23.671(5), b = 22.547(5), c = 13.741(3)A, β = 123.47(3)°, V = 6118(2) A3, Z = 4, C66H44Cl2F2N8O12Zn2, Mr = 1380.73, Dc = 1.499 g/cm3, F(000) = 2816, μ(MoKa) = 0.949 mm-1, R = 0.0572 and wR = 0.1620. In 1, Zn1 and the symmetry formed Zn1 ions are connected by four bridging bidentate carboxylate groups from two independent bpdc anions to yield a binuclear unit with the Zn···Zn separation by bpdc anions of 4.168. Two L ligands are located on both sides of the dimer in chelating bidentate modes. The lateral L ligands from neighboring dimers are paired through strong π-π interactions to result in a fascinating 1D ladder-like supramolecular array. In addition, neighboring supramolecular ladders are packed each other to yield a 3D supramolecular architecture with a 1D channel.展开更多
Reaction of cobalt carbonate, pivalic acid and quinoline in a refluxing ethanol solvent yielded the dicobalt(Ⅱ) compound, Co 2(O 2CCMe 3) 4(C 9H 7N) 2 (1) (C 9H 7N is quinoline), which has been characterised...Reaction of cobalt carbonate, pivalic acid and quinoline in a refluxing ethanol solvent yielded the dicobalt(Ⅱ) compound, Co 2(O 2CCMe 3) 4(C 9H 7N) 2 (1) (C 9H 7N is quinoline), which has been characterised by elemental analysis, IR and X ray diffraction method. Crystallographic data: monoclinic, P2 1/a, a=9.341(2), b=18.591(4), c=11.822(2) , β=97.71(2), V=2034(1) 3, Z=2, M r=918.19, D c =1.27 g/cm -3 , F(000)=820, μ (Mo Kα )=8.60 cm -1 , T =293K, final R=0 049, R w =0.060 for 2715 observed reflections with I】3.0 σ(I) . The centrosymmetric molecule comprises a pair of cobalt(Ⅱ) atoms connected by four pivalate ligands in syn syn bridging modes. Square pyramidal five coordination of cobalt(Ⅱ) is further completed by a quimoline molecule. The Co Ⅱ-Co Ⅱ distance is 2.784(1) .展开更多
Organic light-emitting diodes(OLEDs)have important applications in the field of next-generation displays and lighting,and phosphorescent iridium complexes are an important class of electroluminescent phosphorescent ma...Organic light-emitting diodes(OLEDs)have important applications in the field of next-generation displays and lighting,and phosphorescent iridium complexes are an important class of electroluminescent phosphorescent materials.In this paper,Ir(bmppy)_(3),tris(4-methyl-2,5-diphenylpyridine)iridium,was synthesized and elvaluted for photo-physical characteristics.Single crystals suitale for X-ray diffraction(XRD)were grown from a mixture solvent of dichloromethane and absolute ethanol.The composition and structur of Ir(bmppy)_(3)were determined by element analysis,NMR spectra and XRD.The complex crystallizes in the monoclinic symmetry with the space group P21/c with a slightly distorted octahedral configuration.As measured by UV-Visible and photoluminescence spectra,Ir(bmppy)_(3) displays a maximum emission at at 527 nm at ambient temperature,a typical green-emitting profile.The complex has potential for application in the OLED industry.展开更多
The coordination polymer [Zn1.5(2,2?,4??-tpt)(tpa)2]n (2,2?,4??-tpt = 3,4-bis(2- pyridyl)-5-(4-pyridyl)-1,2,4-triazole, H2tpa = terephthalic acid) has been obtained by solution evaporation method and c...The coordination polymer [Zn1.5(2,2?,4??-tpt)(tpa)2]n (2,2?,4??-tpt = 3,4-bis(2- pyridyl)-5-(4-pyridyl)-1,2,4-triazole, H2tpa = terephthalic acid) has been obtained by solution evaporation method and characterized by elemental analysis, IR, TG and single-crystal X-ray diffraction. The title compound crystallizes in the triclinic system, space group P , with a = 10.331(3), b = 10.596(1), c = 14.966(3) ?, β = 99.029(0)o, V = 1448.86(6) ?3, Z = 2, Dc = 1.668 g/cm3, μ = 1.320 mm-1, F(000) = 740, R = 0.0359 and wR = 0.0841 with I 〉 2σ(I)). In this polymer, the asymmetric unit contains two crystallographically independent Zn(II) ions in different coordination environments. Zn(1) ion is five-coordinated, forming a distorted tetragonal pyramidal geometry, while the Zn(2) ion is six-coordinated to get a distorted octahedral geometry. Each Zn(II) ion is linked by 2,2?,4??-tpt and H2tpa ligands, forming an infinite 2D structure. The existence of O(8)–H(8)???O(2) hydrogen bonding interactions leads the 2D chains to generate a 3D structure. In addition, 1 shows strong photoluminescent emissions in the solid state at room temperature, so it can be used as potential optical materials.展开更多
The title complex,[(BBI)Mn(BDC)]n 1(BBI = 2,2'-bisbenzimidazole(C14H10N4),BDC=benzene-1,3-dicarboxylate dianion(C8H10O4)),crystallizes in the monoclinic system,space group C2/c,with a=17.822(8),b=16.181(...The title complex,[(BBI)Mn(BDC)]n 1(BBI = 2,2'-bisbenzimidazole(C14H10N4),BDC=benzene-1,3-dicarboxylate dianion(C8H10O4)),crystallizes in the monoclinic system,space group C2/c,with a=17.822(8),b=16.181(7),c=13.355(6)A,β=92.112(5)°,V=3848.67(304)A^3,Z=8,C22H14MnN4O4,Mr=453.31,Dc=1.565 g/cm^3,F(000)=1848,μ=0.725 mm^-1,S=1.000,the final R=0.0310 and wR=0.0589.1 contains hydrogen bonds and π-π stacking interactions between the neighboring aryl-ring of BBI's,which helps to form a three-dimensional crystal structure.展开更多
Lanthanum coordination compound with l-alanine[La<sub>2</sub>(ala)<sub>4</sub>(H<sub>2</sub>O)<sub>8</sub>]·(ClO<sub>4</sub>)<sub>6</sub&...Lanthanum coordination compound with l-alanine[La<sub>2</sub>(ala)<sub>4</sub>(H<sub>2</sub>O)<sub>8</sub>]·(ClO<sub>4</sub>)<sub>6</sub>(ala=l-alanine) was synthesized by reaction of lanthanum perchlorate with l-alanine in aqueous solution and obtained in the form of single crystals.The X-ray crystal structure has been determined and the IR spectrum has been studied.The title compound Cl<sub>6</sub>La<sub>2</sub>C<sub>1</sub>2H<sub>4</sub>4O<sub>4</sub>0N<sub>4</sub>,M<sub>r</sub>=1375.2,crystallizes in the triclinic,space group P1 , with parameters: a= 11.227(3),b=11.445(2),c=11.014(3),α=114.46(2),β=114.51(2),γ=78.62(2)°,V=1171.73,Z=1,Dc=1.95 g/cm ̄3,F(000)=680,μ=22.9 cm ̄-1(MoKα).The final R=0.050,R<sub>ω</sub>=0.051.In the crystal,two lanthanum ions are coordinated by four alanine molecules via four carboxylate bridges to form a dinuclear coordination compound.Four water molecules are coordinated to each lanthanum ion. There is a symmetric centre between the two lanthanum ions.The IR spectrum of the coordination compound and the relationship between the IR spectrum and the structure have been studied.The mechanism of the configuration inversion of alanine has been proposed.展开更多
Dimeric complex 〔Cu(SbPh 3) 2I〕 2 has been synthesized by a solid state reaction at a low heating temperature and its crystal structure has been analyzed by X ray crystallography. The crystal is monoclinic, space gr...Dimeric complex 〔Cu(SbPh 3) 2I〕 2 has been synthesized by a solid state reaction at a low heating temperature and its crystal structure has been analyzed by X ray crystallography. The crystal is monoclinic, space group P2 1/a (#14), a = 20 436(5), b=14.125(3), c=24.683(3) , β=110.67(1)°, Z=4, V =6666(2) 3; C 72 H 60 Sb 4I 2Cu 2, M r = 1792, D c = 1.787 g·cm -3 , μ (Mo Kα ) = 31.88 cm -1 , F(000)=3440, R= 0.038 and R w= 0.043 for 5632 observed reflections ( I≥3.0σ(I) ) and 361 refined parameters. The result reveals the copper and the bridging iodide atoms form an approximately planar rhomboid array. Effects of the bulkiness of the ligands upon the structures of the analogous complexes are discussed.\;展开更多
Three new crystalline compounds 1-3 were successfully obtained by the reactions of 3,3'-dimethoxy-6,6'-dimethyl-2,2'-bipyridine ligand(dmbp) with the corresponding Cu(Ⅰ) salts.Crystal data for 1:orthorhombic ...Three new crystalline compounds 1-3 were successfully obtained by the reactions of 3,3'-dimethoxy-6,6'-dimethyl-2,2'-bipyridine ligand(dmbp) with the corresponding Cu(Ⅰ) salts.Crystal data for 1:orthorhombic Pbca,a = 18.5858(12),b = 8.1821(5),c = 20.6066(13) ,V = 3133.7(3) 3,Z = 8,Dc = 1.843 g/cm3,F(000) = 1696,μ = 3.366 mm-1,the final R = 0.0223 and wR = 0.0542.Crystal data for 2:Orthorhombic Pbca,a = 18.7883(16),b = 8.3249(7),c = 19.0294(17) ,V = 2976.4(4) 3,Z = 8,Dc = 1.731 g/cm3,F(000) = 1552,μ = 4.154 mm-1,the final R = 0.0279 and wR = 0.0680.Crystal data for 3:monoclinic P21/c,a = 13.812(10),b = 9.910(7),c = 23.444(17) ,β = 104.3350(10)°,V = 3090(4) 3,Z = 4,Dc = 1.476 g/cm3,F(000) = 1408,μ = 1.588 mm-1,the final R = 0.0479 and wR = 0.1081.The results of X-ray crystallographic analysis revealed that C14H16ICuN2O2(1) and C14H16BrCuN2O2(2) are isostructural compounds with the dimers connected by C-H···halogen hydrogen bonds to generate a three-dimensional(3D) supramolecular network in 1 and a two-dimensional(2D) sheet structure in 2,respectively,while the mononuclear complex C28H32Cl2Cu2N4O4(3) is ionic.In 3,the [Cu(dmbp)2]+ cations and [ClCuCl]-anions are connected by C-H···Cl hydrogen bonds to form a one-dimensional(1D) chain along the a axis.Therefore,in the three complexes,the C-H···halogen hydrogen bonds dominate their crystal structures.Additionally,The UV luminescent properties of complexes 1-3 were investigated.展开更多
The title complex [CoIII(2, 2?bpy)2(N3)2]種O3?H2O was obtained by an auto-oxidization reaction of cobalt nitrate with 2, 2-bpy and sodium azide in aqueous solution at room temperature, and violet single crystals were ...The title complex [CoIII(2, 2?bpy)2(N3)2]種O3?H2O was obtained by an auto-oxidization reaction of cobalt nitrate with 2, 2-bpy and sodium azide in aqueous solution at room temperature, and violet single crystals were prepared in ethanol solution. The structure was determined by X-ray crystallography. The crystal is of triclinic, space group P ?with a = 8.285(4), b = 11.990(8), c = 12.596(7) ? a = 86.630(3), b = 86.280(5), g = 71.130(10)? C20H20CoN11O5, Mr = 553.40, Z = 2, V = 1180.6(12) ?, F(000) = 568, Dc = 1.557 g/cm3, m = 0.784 mm-1, R = 0.0403 and wR = 0.1008. The title complex consists of a [CoⅢ(2, 2?bpy)2(N3)2]+ cation, a NO3- anion and two lattice water molecules. The center CoⅢ ion coordinated by two chelating 2, 2?bpy ligands and two terminal azide groups with a CoN6 coordination environment exhibits a distorted octahedral geometry.展开更多
基金This project was supported by the Science Foundation of Shenyang Institute of Chemical Technology, National Science Foundation for Post-doctoral and Corporation Post-doctoral Foundation of Liaoning Province
文摘The title complex Pd(H2BDA)Cl2·2DMSO (C16H14Cl2N2O6PdS2, H2BDA = 2,2'- bipyridine-3,3'-dicarboxylic acid) has been synthesized and characterized by IR spectra, elemental analysis and ^1H NMR spectra. Its structure was determined by single-crystal X-ray diffraction analysis. The complex crystallizes in the monoclinic system, space group P2(1/c) with a = 1.3604(6), b = 1.2606(6), c = 1.3521 (6) nm, β = 103.677(7)°, V = 2.2530(17) nm^3, Mr = 571.75, Z = 4, Dc = 1.686 g/cm^3,μ = 1.280 mm^-1, F(000) = 1136, R= 0.0405 and wR= 0.0908. The complex presents a planar quadrangle arrangement and is assembled via hydrogen bonds.
文摘Two mixed metal complexes [Cr2Fe(μ3-O) (μ-O2CC2H5)6Py3]Cl (A)and [CrFe2 (μ3-O) (μ-O2CC2H5 )6Py3] Cl (B) have been prepared in non-aqueous sol-vents. Crystal (A) is monoclinic, space group C2/c, with a= 13. 782(3), b= 18. 381(4), c= 16. 643(2) A, β= 92. 84(5)°, V=4211. 1 (4) A3, Z=4, Mr= 887. 03, Dc= 1. 40 g/cm3, μ= 5. 0 cm-1, F(000) = 1836 and R(Rw) = 0. 057(0. 062) for 2134 unique reflections with I> 3δ(I). Crystal (B) is also monoclinic, space group C2/c ,with a= 13. 793(4), b= 18. 401 (6), c= 16. 657(5) A’, β= 93. 18(3)°, V=4221. 3(5) A3, Z= 4, Mr=890. 88, Dc= 1. 40 g/cm3, μ= 10. 5 cm-1, F(000) = 1844 and R(Rw) = 0. 067 (0. 069) for 2131 unique reflections with I>3δ(I). Both (A) and (B)have been characterized by IR spectra. Besides, the relations between the structuresand IR are discussed.
文摘The title complex, [Co_2(bpdc)_2(bim)_4]_n(bpdc=biphenyl-2,2′-dicarboxylate dianion, bim=benzimidazole), was synthesized in a aqueous solution and its crystal structure was determined by means of X-ray diffraction. There are two different coordinated Co(Ⅱ) centers in the complex. The Co1 center has a deformed trigonal-bipyramidal geometry, while the Co2 center possesses a tetrahedral geometry. In addition, the two different coordination modes of bpdc ligands act as two kinds of bridges to link Co1 and Co2, resulting in a catena chain.
基金This work was supported by the Foundation of Education Department of Gansu Province (No. 0604-01)the 'Qing Lan' Talent Engineering Funds of Lanzhou Jiaotong University (No. QL-03-01A)
文摘A new mononuclear Cu(II) complex, [Cu(L)] (H2L = 4,4′,6,6v-tetrabromo-2,2′- [ethylenedioxybis(nitrilomethylidyne)]diphenol), has been synthesized and structurally characterized. X-ray crystal structure of the complex reveals that the Cu(Ⅱ) ion is four-coordinated by two oxygen atoms and two nitrogen atoms from L2- unit. Crystallographic data: monoclinic, space group P21/n with a = 14.076(2), b = 6.9801(14), c = 19.858 (2) A, β= 107.613(2)°, C16n10Br4CuN2O4, Mr = 677.44, V = 1859.6(5) A3, Dc = 2.420 g/cm3,μ = 9.796 mm^-1, F(000) = 1284, Z = 4, the final R = 0.0516 and wR = 0.0938 for 1879 observed reflections with I 〉 2σ(/). The dihedral angel between the two coordination planes of Cu(1)-N(2)--O(4) and Cu(1 )-N( 1 )-O(3)) is 30.08(6)°.
基金This work was supported by the National Natural Science Foundation of China(No.20371028)Natural Science Foundation of Tianjin(No.023605811)
文摘A new mononuclear copper (II) complex, [Cu(dbpy)2Cl]OH0.5CH3OH2H2O (dbpy = 4,4?dimethyl-2,2?bipyridine) (C24.50H31ClCuN4O3.50, Mr = 536.52) has been synthesized and its crystal structure was determined by X-ray diffraction method. It crystallizes in monoclinic, space group P2/c with a = 13.383(6), b = 7.653(3), c = 14.164(6) ? b = 105.395(8), V = 1398.7(10) 3, Z = 2, Dc = 1.274 g/cm3, m = 0.908 mm-1, F(000) = 560 and R = 0.0773 for 1467 observed reflections with I>2s(I). Each copper(II) ion is coordinated by two dbpy and one Cl- ion and the coordination geometry can be described as a distorted trigonal bipyramidal arrange- ment.
基金Supported by the National Natural Science Foundation of China(21031002 and 51073079)the Fundamental Research Funds for the Central Universitiesthe Application and Research in Cutting-edge Technologies in Tianjin Technology Projects in General(K11JCYBJC11100)
文摘Two new Cu(II) coordination polymers, [Cu(FDA)(BPY)(H20)]n (1) and {[Cu(FDA)(BPY)(H2O)].2H2O}n (2) (H2FDA = 2,5-furandicarboxylic acid, BPY = 2,2'-bipyridine), have been synthesized and structurally characterized by single-crystal X-ray diffraction as well as elemental analysis and IR. Compound 1 crystallizes in monoclinic, space group P21/c, with a = 7.5915(15), b = 8.4050(17), c = 24.204(6) A, β = 99.05(3)°, V= 1525.1(6) A3, Dc = 1.706 g/crn3, C16HI2CuN206, Mr = 391.82, F(000) = 796, μ(MoKa) = 1.470 mm-l, Z = 4, R = 0.0633 and wR = 0.1059 for 2389 observed reflections (1 〉 2a(I)), R = 0.0738, and wR = 0.1098 for all data. Complex 2 belongs to triclinic space group PI with a = 8.8660(18), b = 8.9112(18), c = 12.525(3) A, a = 88.41(3), β = 69.38(3), γ = 66.95(3)°, V = 845.2(3) A3, Dc = 1.681 g/cm3, CI6HI6CuN2Os, Mr. = 427.85, F(000) = 438, μ(MoKα) = 1.342 mm-1, Z = 2, R = 0.0290 and wR = 0.0690 for 2767 observed reflections (I 〉 2σ(I)), R = 0.0329 and wR = 0.0706 for all data. Complexes 1 and 2 are both coordination polymers with one-dimensional chain structures bridged by the protonated FDA ligands, which are assembled into three-dimensional supramolecular structures through hydrogen bonding interactions and π-π packing interactions between the chains.
基金Supported by the Science and Technology Research Projects of the Education Committee of Jilin Province(No.2014150)
文摘A new dimeric compound, [Zn(bpdc)(L)]2·4H2O(1, L = 11-fluoro-dipyrido[3,2-a:2',3'-c]phenazine and bpdc = 1,1'-biphenyl-2,2'-dicarboxylate), has been synthesized under hydrothermal conditions and characterized by single-crystal X-ray diffraction. It crystallizes in monoclinic, space group C2/c with a = 23.671(5), b = 22.547(5), c = 13.741(3)A, β = 123.47(3)°, V = 6118(2) A3, Z = 4, C66H44Cl2F2N8O12Zn2, Mr = 1380.73, Dc = 1.499 g/cm3, F(000) = 2816, μ(MoKa) = 0.949 mm-1, R = 0.0572 and wR = 0.1620. In 1, Zn1 and the symmetry formed Zn1 ions are connected by four bridging bidentate carboxylate groups from two independent bpdc anions to yield a binuclear unit with the Zn···Zn separation by bpdc anions of 4.168. Two L ligands are located on both sides of the dimer in chelating bidentate modes. The lateral L ligands from neighboring dimers are paired through strong π-π interactions to result in a fascinating 1D ladder-like supramolecular array. In addition, neighboring supramolecular ladders are packed each other to yield a 3D supramolecular architecture with a 1D channel.
文摘Reaction of cobalt carbonate, pivalic acid and quinoline in a refluxing ethanol solvent yielded the dicobalt(Ⅱ) compound, Co 2(O 2CCMe 3) 4(C 9H 7N) 2 (1) (C 9H 7N is quinoline), which has been characterised by elemental analysis, IR and X ray diffraction method. Crystallographic data: monoclinic, P2 1/a, a=9.341(2), b=18.591(4), c=11.822(2) , β=97.71(2), V=2034(1) 3, Z=2, M r=918.19, D c =1.27 g/cm -3 , F(000)=820, μ (Mo Kα )=8.60 cm -1 , T =293K, final R=0 049, R w =0.060 for 2715 observed reflections with I】3.0 σ(I) . The centrosymmetric molecule comprises a pair of cobalt(Ⅱ) atoms connected by four pivalate ligands in syn syn bridging modes. Square pyramidal five coordination of cobalt(Ⅱ) is further completed by a quimoline molecule. The Co Ⅱ-Co Ⅱ distance is 2.784(1) .
文摘Organic light-emitting diodes(OLEDs)have important applications in the field of next-generation displays and lighting,and phosphorescent iridium complexes are an important class of electroluminescent phosphorescent materials.In this paper,Ir(bmppy)_(3),tris(4-methyl-2,5-diphenylpyridine)iridium,was synthesized and elvaluted for photo-physical characteristics.Single crystals suitale for X-ray diffraction(XRD)were grown from a mixture solvent of dichloromethane and absolute ethanol.The composition and structur of Ir(bmppy)_(3)were determined by element analysis,NMR spectra and XRD.The complex crystallizes in the monoclinic symmetry with the space group P21/c with a slightly distorted octahedral configuration.As measured by UV-Visible and photoluminescence spectra,Ir(bmppy)_(3) displays a maximum emission at at 527 nm at ambient temperature,a typical green-emitting profile.The complex has potential for application in the OLED industry.
基金Supported by the Natural Science Foundation of Ningxia(No.NZ15006)the Research Project of Ningxia Colleges and Universities(No.NGY2017004)
文摘The coordination polymer [Zn1.5(2,2?,4??-tpt)(tpa)2]n (2,2?,4??-tpt = 3,4-bis(2- pyridyl)-5-(4-pyridyl)-1,2,4-triazole, H2tpa = terephthalic acid) has been obtained by solution evaporation method and characterized by elemental analysis, IR, TG and single-crystal X-ray diffraction. The title compound crystallizes in the triclinic system, space group P , with a = 10.331(3), b = 10.596(1), c = 14.966(3) ?, β = 99.029(0)o, V = 1448.86(6) ?3, Z = 2, Dc = 1.668 g/cm3, μ = 1.320 mm-1, F(000) = 740, R = 0.0359 and wR = 0.0841 with I 〉 2σ(I)). In this polymer, the asymmetric unit contains two crystallographically independent Zn(II) ions in different coordination environments. Zn(1) ion is five-coordinated, forming a distorted tetragonal pyramidal geometry, while the Zn(2) ion is six-coordinated to get a distorted octahedral geometry. Each Zn(II) ion is linked by 2,2?,4??-tpt and H2tpa ligands, forming an infinite 2D structure. The existence of O(8)–H(8)???O(2) hydrogen bonding interactions leads the 2D chains to generate a 3D structure. In addition, 1 shows strong photoluminescent emissions in the solid state at room temperature, so it can be used as potential optical materials.
文摘The title complex,[(BBI)Mn(BDC)]n 1(BBI = 2,2'-bisbenzimidazole(C14H10N4),BDC=benzene-1,3-dicarboxylate dianion(C8H10O4)),crystallizes in the monoclinic system,space group C2/c,with a=17.822(8),b=16.181(7),c=13.355(6)A,β=92.112(5)°,V=3848.67(304)A^3,Z=8,C22H14MnN4O4,Mr=453.31,Dc=1.565 g/cm^3,F(000)=1848,μ=0.725 mm^-1,S=1.000,the final R=0.0310 and wR=0.0589.1 contains hydrogen bonds and π-π stacking interactions between the neighboring aryl-ring of BBI's,which helps to form a three-dimensional crystal structure.
文摘Lanthanum coordination compound with l-alanine[La<sub>2</sub>(ala)<sub>4</sub>(H<sub>2</sub>O)<sub>8</sub>]·(ClO<sub>4</sub>)<sub>6</sub>(ala=l-alanine) was synthesized by reaction of lanthanum perchlorate with l-alanine in aqueous solution and obtained in the form of single crystals.The X-ray crystal structure has been determined and the IR spectrum has been studied.The title compound Cl<sub>6</sub>La<sub>2</sub>C<sub>1</sub>2H<sub>4</sub>4O<sub>4</sub>0N<sub>4</sub>,M<sub>r</sub>=1375.2,crystallizes in the triclinic,space group P1 , with parameters: a= 11.227(3),b=11.445(2),c=11.014(3),α=114.46(2),β=114.51(2),γ=78.62(2)°,V=1171.73,Z=1,Dc=1.95 g/cm ̄3,F(000)=680,μ=22.9 cm ̄-1(MoKα).The final R=0.050,R<sub>ω</sub>=0.051.In the crystal,two lanthanum ions are coordinated by four alanine molecules via four carboxylate bridges to form a dinuclear coordination compound.Four water molecules are coordinated to each lanthanum ion. There is a symmetric centre between the two lanthanum ions.The IR spectrum of the coordination compound and the relationship between the IR spectrum and the structure have been studied.The mechanism of the configuration inversion of alanine has been proposed.
文摘Dimeric complex 〔Cu(SbPh 3) 2I〕 2 has been synthesized by a solid state reaction at a low heating temperature and its crystal structure has been analyzed by X ray crystallography. The crystal is monoclinic, space group P2 1/a (#14), a = 20 436(5), b=14.125(3), c=24.683(3) , β=110.67(1)°, Z=4, V =6666(2) 3; C 72 H 60 Sb 4I 2Cu 2, M r = 1792, D c = 1.787 g·cm -3 , μ (Mo Kα ) = 31.88 cm -1 , F(000)=3440, R= 0.038 and R w= 0.043 for 5632 observed reflections ( I≥3.0σ(I) ) and 361 refined parameters. The result reveals the copper and the bridging iodide atoms form an approximately planar rhomboid array. Effects of the bulkiness of the ligands upon the structures of the analogous complexes are discussed.\;
基金supported by the National Natural Science Foundation of China (No.20872057)
文摘Three new crystalline compounds 1-3 were successfully obtained by the reactions of 3,3'-dimethoxy-6,6'-dimethyl-2,2'-bipyridine ligand(dmbp) with the corresponding Cu(Ⅰ) salts.Crystal data for 1:orthorhombic Pbca,a = 18.5858(12),b = 8.1821(5),c = 20.6066(13) ,V = 3133.7(3) 3,Z = 8,Dc = 1.843 g/cm3,F(000) = 1696,μ = 3.366 mm-1,the final R = 0.0223 and wR = 0.0542.Crystal data for 2:Orthorhombic Pbca,a = 18.7883(16),b = 8.3249(7),c = 19.0294(17) ,V = 2976.4(4) 3,Z = 8,Dc = 1.731 g/cm3,F(000) = 1552,μ = 4.154 mm-1,the final R = 0.0279 and wR = 0.0680.Crystal data for 3:monoclinic P21/c,a = 13.812(10),b = 9.910(7),c = 23.444(17) ,β = 104.3350(10)°,V = 3090(4) 3,Z = 4,Dc = 1.476 g/cm3,F(000) = 1408,μ = 1.588 mm-1,the final R = 0.0479 and wR = 0.1081.The results of X-ray crystallographic analysis revealed that C14H16ICuN2O2(1) and C14H16BrCuN2O2(2) are isostructural compounds with the dimers connected by C-H···halogen hydrogen bonds to generate a three-dimensional(3D) supramolecular network in 1 and a two-dimensional(2D) sheet structure in 2,respectively,while the mononuclear complex C28H32Cl2Cu2N4O4(3) is ionic.In 3,the [Cu(dmbp)2]+ cations and [ClCuCl]-anions are connected by C-H···Cl hydrogen bonds to form a one-dimensional(1D) chain along the a axis.Therefore,in the three complexes,the C-H···halogen hydrogen bonds dominate their crystal structures.Additionally,The UV luminescent properties of complexes 1-3 were investigated.
文摘The title complex [CoIII(2, 2?bpy)2(N3)2]種O3?H2O was obtained by an auto-oxidization reaction of cobalt nitrate with 2, 2-bpy and sodium azide in aqueous solution at room temperature, and violet single crystals were prepared in ethanol solution. The structure was determined by X-ray crystallography. The crystal is of triclinic, space group P ?with a = 8.285(4), b = 11.990(8), c = 12.596(7) ? a = 86.630(3), b = 86.280(5), g = 71.130(10)? C20H20CoN11O5, Mr = 553.40, Z = 2, V = 1180.6(12) ?, F(000) = 568, Dc = 1.557 g/cm3, m = 0.784 mm-1, R = 0.0403 and wR = 0.1008. The title complex consists of a [CoⅢ(2, 2?bpy)2(N3)2]+ cation, a NO3- anion and two lattice water molecules. The center CoⅢ ion coordinated by two chelating 2, 2?bpy ligands and two terminal azide groups with a CoN6 coordination environment exhibits a distorted octahedral geometry.