Two novel complexes {[Zn（IM4py）2（tp）（H2O）]2H2O}. 1 and {[Cd（IM4py）2（tp）- （H2O）]1.25H2O},, 2 （IM4py = 2-（4＇-pyridinyl）-4,4,5,5-tetramethylimidazoline-l-oxyl and tp = terephthalate dianion） have been sy...Two novel complexes {[Zn（IM4py）2（tp）（H2O）]2H2O}. 1 and {[Cd（IM4py）2（tp）- （H2O）]1.25H2O},, 2 （IM4py = 2-（4＇-pyridinyl）-4,4,5,5-tetramethylimidazoline-l-oxyl and tp = terephthalate dianion） have been synthesized and characterized by elemental analyses, IR spectrum and single-crystal X-ray diffraction. Crystal data for complex I： monoclinic, space group C2/c, a = 20.648（7）, b = 12.130（4）, c = 14.036（4） A, β = 106.351（5）°, C32H42N6O9Zn, Mr = 720.09, V = 3373.3（2） A3, Z= 4, Dc = 1.418 g/cm^3μt（MoKα） = 0.790 mm^-1, F（000） = 1512, the final R = 0.0407 and wR = 0.0894 for 3480 independent reflections with Rint = 0.0432. Crystal data for complex 2： monoclinic, space group C2/c, a = 21.332（6）, b = 12.063（3）, c = 14.246（4） A, β = 106.704（4）°, C32H40.50N6O8.25Cd, Mr = 753.60, V= 3511.2（2） A^3, Z = 4, Dc = 1.426 g/cm^3,μ（MoKα） = 0.679 mm^--1, F（000） = 1554, the final R = 0.0419 and wR = 0.0961 for 3627 independent reflections with Rint = 0.0440. The framework structures of complexes 1 and 2 are 3-D networks via the hydrogen bonds among 1-D chains. The notable characteristics of the two complexes are that the coordination polyhedron of Zn（Ⅱ） adopts a rare distorted five-coordinate square pyramidal geometry in 1, and the Cd（Ⅱ） complex exhibits an unusual distorted seven-coordinate pentagonal bipyramid in 2.展开更多
The two title complexes [{Cd（IBG-CH3）（4,4＇-bipy）（H2O）2}·NO3]n 1 and [{Cd（IBG）- （4,4＇-bipy）（H2O）2}·2H2O]n 2 （H2IBG = isophthaloylbisglycine and 4,4＇-bipy = 4,4＇-bipyridine） have been synthes...The two title complexes [{Cd（IBG-CH3）（4,4＇-bipy）（H2O）2}·NO3]n 1 and [{Cd（IBG）- （4,4＇-bipy）（H2O）2}·2H2O]n 2 （H2IBG = isophthaloylbisglycine and 4,4＇-bipy = 4,4＇-bipyridine） have been synthesized and characterized by single-crystal structure determination,IR and TG analyses. Complex 1 crystallizes in monoclinic,space group C2/c with a = 27.221（2）,b = 11.6093（7）,c = 16.3571（9）A,V = 5149.2（6） A^3,Z = 8,C23H23N5O11Cd,Mr = 657.86,Dc = 1.697 g/cm^3,F（000） = 2656.00,μ（MoKα） = 0.919 mm^-1,the final R = 0.0478 and wR = 0.0882 for 3728 observed reflections with I 〉 2σ（I）. Complex 2 crystallizes in triclinic,space group Pī with a = 9.0940（4）,b = 11.6852（5）,c = 13.1119（6）A,V = 1230.26 A^3,Z = 2,C22H26N4O10Cd,Mr = 618.87,Dc = 1.671 g/cm^3,F（000） = 628.0,μ（MoKα） = 0.951 mm^-1,the final R = 0.0567 and wR = 0.1124 for 3713 observed reflections with I 〉 2σ（I）. In both structures,the CdII metal centers are coordinated by seven atoms to form a distorted pentagonal bipyramidal geometry.展开更多
Two homochiral mercury （1） and cadmium （2） complexes derived from chiral twisted biphenyl pyridine ligand （3,3＇-bipyridine-5,5＇,6,6＇-tetramethyl-2,2＇-dimethoxy-1,1＇-biphenyl） have been synthesized and chara...Two homochiral mercury （1） and cadmium （2） complexes derived from chiral twisted biphenyl pyridine ligand （3,3＇-bipyridine-5,5＇,6,6＇-tetramethyl-2,2＇-dimethoxy-1,1＇-biphenyl） have been synthesized and characterized by IR, microanalysis, TGA, UV-Vis, powder and single-crystal X-ray crystallography. Both 1 and 2 crystallize in orthorhombic space group P21212 with Z = 2. For 1, a = 14.2038（16）, b = 14.3630（17）, c = 7.0257（8）, V = 1433.3（3）3, Mr = 878.91, Dc = 2.037 g/cm3, μ = 7.549 mm-1, F（000） = 824, the final GOF = 1.017, R = 0.0296 and wR = 0.0645 for 2925 observed reflections with I 2σ（I）. For 2, a = 14.212（3）, b = 14.392（3）, c = 7.0498（14）, V = 1442.0（5）3, Mr = 790.72, Dc = 1.821 g/cm3, μ = 2.924 mm–1, F（000） = 760, the final GOF = 1.075, R = 0.0340 and wR = 0.0834 for 3144 observed reflections with I 2σ（I）. The crystal structures of 1 and 2 are isostructural and each adopts a two-dimensional supramolecular network which contains the C–H···π interactions.展开更多
Two new metal-organic complexes [Cd2（1,4-BDC）（4-pytyp）（H2O）4]·（1,4-BDC）（1） and [Cu2（1,4-BDC）（4-pytyp）2（H2O）2]·（1,4-BDC）·8H2O（2）（4-pytyp = 4＇-（4＇＇-pyridyl）-2,2＇：6＇,2＇＇-terp...Two new metal-organic complexes [Cd2（1,4-BDC）（4-pytyp）（H2O）4]·（1,4-BDC）（1） and [Cu2（1,4-BDC）（4-pytyp）2（H2O）2]·（1,4-BDC）·8H2O（2）（4-pytyp = 4＇-（4＇＇-pyridyl）-2,2＇：6＇,2＇＇-terpyridine, 1,4-H2 BDC = 1,4-benzenedicarboxylic acid） have been synthesized under hydrothermal conditions and characterized by elemental analysis, infrared analysis and X-ray single-crystal diffraction. The scrutiny of single-crystal structure reveals that complex 1 forms to a 3D supramolecular network linked by π-π stacking interactions and hydrogen bonds. X-ray diffraction analysis reveals that complex 2 exhibits a 3D supramolecular network linked through complicated hydrogen bonds. The thermogravimetric analysis and photoluminescent properties of 1 and 2 are discussed in detail.展开更多
Two novel complexes, [Cd2（BMQU）2Cl4] （1） and [Ni（BMQU）2HPO4]·1.5H2O （2） （BMQU = 2-（2-benzimidazolyl）quinoline）, were synthesized by the hydrothermal method and characterized by elemental analysis, IR,...Two novel complexes, [Cd2（BMQU）2Cl4] （1） and [Ni（BMQU）2HPO4]·1.5H2O （2） （BMQU = 2-（2-benzimidazolyl）quinoline）, were synthesized by the hydrothermal method and characterized by elemental analysis, IR, and TG-DTG. The crystal structures were determined by single-crystal X-ray diffraction. Both 1 and 2 crystallize in the triclinic system, space group P . The data for 1： a = 0.8342（7）, b = 0.9226（9）, c = 1.0646（8） nm, α = 90.819（2）, β = 97.466（2）, γ = 98.280（2）°. The Cd（Ⅱ） is coordinated with three chlorine atoms and two nitrogen atoms of a BMQU molecule, generating a distorted square-pyramidal geometry. The dinuclear Cd（Ⅱ） complex is formed by two chlorine bridge bonds, and the one-dimensional chain structure is constructed with the hydrogen bond N-H…Cl and π-π stacking interaction. The data for 2： a = 1.2251（1）, b = 1.2451（1）, c = 1.2868（1） nm, α = 107.510（2）, β = 98.630（1）, γ = 109.921（2）°. The Ni（Ⅱ） is coordinated with four nitrogen atoms of two BMQU molecules and two oxygen atoms of a HPO42-, forming a distorted-octahedral geometry. The two-dimensional layer structure is formed by the hydrogen bonds and π-π stacking interaction between neighboring molecules. Complex 1 shows a strong blue fluorescence emission （λmax= 456 nm） at solid state.展开更多
Two new ternary complexes [Zη（3-aba）2（phen）]·2.58H2O 1 and {[Cd（3-aba）- （phen）2]·（NO3）·（1.5H2O） }n 2 （3-aba = 3-aminobenzoic acid anion, phen = 1,10-phenanthroline） were synthesized and c...Two new ternary complexes [Zη（3-aba）2（phen）]·2.58H2O 1 and {[Cd（3-aba）- （phen）2]·（NO3）·（1.5H2O） }n 2 （3-aba = 3-aminobenzoic acid anion, phen = 1,10-phenanthroline） were synthesized and characterized by elemental analysis, IR, UV spectrum and X-ray diffraction. Complex 1 crystallizes in the rhombohedral system, space group R3 with a = 3.5733（3）, b = 3.5733（3）, c = 1.1231（2） nm; V= 12.419（3） nm^3, C26H25.17NaO6.58Zn, Mr= 564.37, Z= 18, F（000） = 5253, μ= 0.937 mm^-1, Dc = 1.358 g/cm^3, R = 0.0668 and wR = 0.1690 for 2424 observed reflections （I〉 2σ（I））. Complex 2 belongs to the tetragonal system, space group P4/ncc with a = 2.88451（10）, b = 2.88451（10）, c = 1.55571（11） nm, V= 12.9441（11） nm^3, C31H25CdN6O6.50, Mr = 697.97, Z = 16, F（000） = 5648,μ=0.727 mm^-1, Dc= 1.433 g/cm^3, R = 0.0607 and wR = 0.1742 for 3468 observed reflections （I 〉 2σ（I））. Complex 1 displays a mononuclear structure. The carboxylate group of 3-aminobenzoic acid anion coordinates to Zn（Ⅱ） in a chelating bidentate mode, and the nitrogen atom of the ligand does not involve in coordination. Complex 2 exhibits a one-dimensional chain structure with 3-aminobenzoic acid anion coordinating to Cd（Ⅱ） in a μ2-bridging mode through its nitrogen atom and one of its oxygen atoms.展开更多
Two new transition-metal coordination polymers,{[Cd(oba)(L)_(2)]·H_(2)O}_n(1)and[Cd(4-nph)(L)_(2)]_n(2)(H_(2)oba=4,4'-oxydibenzoic acid,4-H_(2)nph=4-nitrophthalic acid,L=2,2'-biimidazole),were successfull...Two new transition-metal coordination polymers,{[Cd(oba)(L)_(2)]·H_(2)O}_n(1)and[Cd(4-nph)(L)_(2)]_n(2)(H_(2)oba=4,4'-oxydibenzoic acid,4-H_(2)nph=4-nitrophthalic acid,L=2,2'-biimidazole),were successfully synthesized under hydrothermal conditions and characterized structurally by IR spectroscopy,elemental analyses,single-crystal X-ray diffraction,powder X-ray diffraction,and thermogravimetric analysis.The results of single-crystal X-ray diffraction show that complex 1 presents a 1D zigzag chain structure and further extends to a 2D network through N—H…O hydrogen bonds andπ-πstacking interactions.Meanwhile,complex 2 has a zero-dimensional structure and also extends to form a 2D network through N—H…O hydrogen bonds andπ-πstacking interactions.In addition,both 1and 2 exhibited luminescent properties in the solid state.Furthermore,quantum chemical calculations were carried out on the"molecular fragments"extracted from the crystal structures of 1 and 2 using the PBE0/LANL2DZ method constructed by the Gaussian 16 program.The calculated values signify a significant covalent interaction between the coordination atoms and the Cd(Ⅱ)ions.CCDC:2332173,1;2332176,2.展开更多
Eight neutral mononuclear complexes constructed from transition metals （M = Co（Ⅱ）, Ni（Ⅱ）, Cu（Ⅱ）, Zn（Ⅱ）, Cd（Ⅱ）） and ligands N-（2-pyridylmethyl）-L-phenylalanine （L-Hpmpa） and N-（2-pyridylmethyl）-L...Eight neutral mononuclear complexes constructed from transition metals （M = Co（Ⅱ）, Ni（Ⅱ）, Cu（Ⅱ）, Zn（Ⅱ）, Cd（Ⅱ）） and ligands N-（2-pyridylmethyl）-L-phenylalanine （L-Hpmpa） and N-（2-pyridylmethyl）-L-tyrosine （L-Hpmtyr） have been synthesized by both hydrothermal and conventional room temperature reactions. Four of them have been structurally characterized by single-crystal X-ray diffractions. They are： [Co（L-pmpa）2·2H2O] 1, [Ni（L-pmpa）2·2H2O] 2, [Cu（L-pmpa）2·2H2O] 3 and [Cu（L-pmtyr）2·2H2O] 4. Single-crystal X-ray analysis, IR and elemental analysis revealed that complexes 1, 2 and 3 are isostructural. Powder X-ray diffraction, IR and elemental analysis revealed that complexes 4, 5 （Zn[L-pmtyr]2·2H2O）, 6 （Cd[L-pmtyr]2·2H2O）, 7 （Co[L-pmtyr]2·2H2O） and 8 （Ni[L-pmtyr]2·2H2O） are isostructural. The photoluminescence properties of L-Hpmtyr ligand, compounds 5 and 6 were also investigated.展开更多
The complex [Cd（bbb）Cl2]·DMF·H2O, where bbb is 2-（2-（1H-benzo[d]imidazol-2-yl）benzyl）-1H-benzo[d]imidazole, was synthesized and characterized by X-ray single-crystal structure analyses. For the complex...The complex [Cd（bbb）Cl2]·DMF·H2O, where bbb is 2-（2-（1H-benzo[d]imidazol-2-yl）benzyl）-1H-benzo[d]imidazole, was synthesized and characterized by X-ray single-crystal structure analyses. For the complex： C24H25Cl2CdN5O2, Mr = 598.77, crystal system, triclinic, space group P1, a = 9.9878（12）, b = 10.0008（12）, c = 13.2217（15） , α = 80.674（2）, β = 72.158（2）, γ = 86.776（2）°, V = 1240.5（3） 3, Z = 2, Dc = 1.598 g/cm3, λ = 0.71073, μ（MoKα） = 1.127 mm–1, F（000） = 600, S = 1.04, R = 0.0905 and wR = 0.3088 for 4805 observed reflections with I 〉 2σ（I）. It is a neutral complex. The distorted tetrahedral geometry of cadmium ion is coordinated by two nitrogen atoms of ligand and two chloride ions. The complex emits blue green luminescence with emission peaks at 480 nm in DMF solution.展开更多
A new flexible double betaine L （L = 1,4-bis（pyridinio-4-carboxylato-N-methyl）benzene, C20H16N2O4） and its cadmium（Ⅱ） complex [Cd（H2O）aL（NO3）]NO3.H2O 1 were synthesized. Complex 1 was obtained by self-assem...A new flexible double betaine L （L = 1,4-bis（pyridinio-4-carboxylato-N-methyl）benzene, C20H16N2O4） and its cadmium（Ⅱ） complex [Cd（H2O）aL（NO3）]NO3.H2O 1 were synthesized. Complex 1 was obtained by self-assembly reaction of [Cd（NO3）2]-4H2O and L in hot water,and its crystal structure was determined by single-crystal X-ray diffraction analysis. Crystallographic data for complex 1： C20H24CdN4O14.H2O, Mr = 674.85, monoclinic, space group P21/c, a =13.7854（3）, b = 14.2820（3）, c = 14.9188（4） ,A°, β = 116.418（1）°, V = 2630.5（1）A°^3, Z = 4, Dc= 1.704g/cm^3,/J（MoKα） = 0.911 mm^-1, F（000） = 1368, the final R = 0.0315 and wR = 0.0768 for 3637 observed reflections with I 〉 2σ（I）. In complex 1, L acts as a monodentate ligand to link a Cd（Ⅱ） ion in a novel coordination mode of double betaines. The mononuclear [Cd（H2O）aL（NO3）] units are connected through intermolecular hydrogen bonds and π-π stacking reactions to generate a 3D network.展开更多
One new luminescent material of complex {[Cd（DPA）（H_2O）_2]·（H_2O）_2}_n（1） was synthesized by evaporation methods using 3,3A-thiodipropionic acid（DPA） and cadmium nitrate as the starting materials. Compo...One new luminescent material of complex {[Cd（DPA）（H_2O）_2]·（H_2O）_2}_n（1） was synthesized by evaporation methods using 3,3A-thiodipropionic acid（DPA） and cadmium nitrate as the starting materials. Compound 1 crystallizes in the monoclinic system,space group P2_1/n with a = 7.5460（7）,b = 13.372（3）,c = 12.304（3） A,β = 95.95（3）o,V = 1234.8（4） A^3,D_c = 1.940 g/cm^3,C_6H_（16）O_8 SCd,M_r = 360.65,F（000） = 720,μ（Mo Ka） = 1.960 mm^-1,Z = 4,R = 0.0460 and wR = 0.1185 for 1835 observed reflections（I 〉 2σ（I））,and R = 0.0591,wR = 0.1245 for all data. The complex has been characterized by elemental analysis,FT-IR,TG,PXRD and X-ray single-crystal structure analysis and the fluorescence property has also been studied. As a result,complex 1 possesses a two-dimensional（2-D） structure through DPA ligands interconnecting Cd2＋ ions. Complex 1 emits the intense fluorescence of 420 nm in the solid state at room temperature.展开更多
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 grou...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.展开更多
A complex [Cd2（tbb）C14]·4DMF·3H2O, where tbb is 1,2,3,4-tetra（1H-benzo[d]imi- dazol-2-yl）butane, was synthesized and characterized by X-ray single-crystal structure analyses. For this complex： C44H49Cd2...A complex [Cd2（tbb）C14]·4DMF·3H2O, where tbb is 1,2,3,4-tetra（1H-benzo[d]imi- dazol-2-yl）butane, was synthesized and characterized by X-ray single-crystal structure analyses. For this complex： C44H49Cd2C14N12OT, Mr= 1224.55, monoclinie system, space group C2/c, a = 29.563（3）, b = 14.2580（17）, c = 26.355（3） A,β = 97.036（2）°, V = 11025（2） A3, Z = 8, D,.= 1.475 g/cm3, 2 = 0.71073 A, IL（MoKa） = 1.021 mm-1, F（000） = 4936, S = 1.047, R = 0.0680 and wR = 0.1832 for 11812 observed reflections with I 〉 2σ（I）. It is a neutral dinuclear complex. One 1,2,3,4-tetra（1H-benzo[d]imidazol-2-yl）butane coordinates to two cadmium ions. Each cadmium ion is coordinated by two nitrogen atoms of tbb and two chloride ions. The complex emits blue luminescence in DMF solution as well as in solid powder state.展开更多
The title complex Cd(dppf)Br2 (dppf=1,1′-bis(diphenylphosphino)ferrocene) (C34H28Br2 P2CdFe, Mr=826.57) has been synthesized and characterized by X-ray diffraction. The crystal is in monoclinic, space group C2/c with...The title complex Cd(dppf)Br2 (dppf=1,1′-bis(diphenylphosphino)ferrocene) (C34H28Br2 P2CdFe, Mr=826.57) has been synthesized and characterized by X-ray diffraction. The crystal is in monoclinic, space group C2/c with cell parameters: a = 34.285(4), b = 10.050(1), c = 18.697(2) ? β= 98.843(3)? V = 6366(1)3, Z = 8, Dc = 1.725g/cm3, (MoKa) = 0.71073 ? =3.757mm-1, F(000)=3248. The final refinement with 4469 observed reflections and 361 parameters gave R=0.0584 and wR=0.1522. The 1,1′-bis(diphenylphosphino)ferrocene group is connected to the Cd atom as a bidentate ligand. The Cd atom has a distorted tetrahedral coordination.展开更多
The new cadmium（N） coordination polymer [Cd（bte）2（dca）2]n 1 （bte = 1,2-bis（1,2,4- triazol-1-yl）ethane, dca = dicyanamide） was synthesized and characterized by single-crystal X-ray diffraction. The crystal is...The new cadmium（N） coordination polymer [Cd（bte）2（dca）2]n 1 （bte = 1,2-bis（1,2,4- triazol-1-yl）ethane, dca = dicyanamide） was synthesized and characterized by single-crystal X-ray diffraction. The crystal is of monoclinic, space group P21/n with a = 8.7148（15）, b = 8.6142（17）, c = 15.204（3） A, fl= 92.100（10）°, V= 1140.6（4） A3, Z= 2, Mr = 572.87, Dc= 1.668 g/cm3, F（000） = 572, /t = 1.004 mm-l, the final R = 0.0654 and wR = 0.1429 for 1737 observed reflections （I 〉 2σ（I））. The cadmium atom is coordinated equatorially by four nitrogen atoms from four bte ligands and axially by two nitrogen atoms from two dca anions to adopt a distorted octahedral geometry. Each bte molecule bridges two cadmium（II） atoms. Two strands of bte molecules are wrapped around each other, and held together by cadmium（H） atoms. 1 Forms a double chain structure containing eighteen-membered Cd2（bte）2 rings.展开更多
A dinuclear cadmium complex [Cd2（bpbb）2Cl2（μ-Cl2）], where bpbb is 1,2-bis（1-phenyl-1H-benzo[d]imidazol-2-yl）benzene, was synthesized and characterized by X-ray singlecrystal structure analyses. Crystal data： C...A dinuclear cadmium complex [Cd2（bpbb）2Cl2（μ-Cl2）], where bpbb is 1,2-bis（1-phenyl-1H-benzo[d]imidazol-2-yl）benzene, was synthesized and characterized by X-ray singlecrystal structure analyses. Crystal data： C（64）H（44）Cd2Cl4N8, Mr = 1291.67, triclinic system, space group P1, a = 10.076（3）, b = 12.730（4）, c = 13.176（4） A, α = 99.087（3）, β = 109.859（3）, γ = 112.551（3）°, V = 1384.8（7） A3, Z = 1, Dc = 1.549 g/cm^3, λ = 0.71073 A, μ（Mo Kα） = 1.010 mm^（–1）, F（000） = 648, S = 1.062, R = 0.0425 and wR = 0.1130 for 9688 observed reflections with I 〉 2s（I）. One 1,2-bis（1-phenyl-1H-benzo[d]imidazol-2-yl）benzene coordinates to one cadmium ion. The cadmium is five-coordinated by three chloride ions and two nitrogen atoms from bpbb. Each cadmium ion is bridged by two chloride ions. The decomposition temperature is up to 420 ℃. The complex emits blue luminescence in DMF solution and in solid powder state.展开更多
A two-dimensional hydrogen-bonded cadmium(II) compound [Cd(dapm)2- (CH3COO)2(H2O)2] (dapm = diaminodiphenylmethane) has been synthesized and characterized by single-crystal X-ray diffraction analysis. It crystallizes ...A two-dimensional hydrogen-bonded cadmium(II) compound [Cd(dapm)2- (CH3COO)2(H2O)2] (dapm = diaminodiphenylmethane) has been synthesized and characterized by single-crystal X-ray diffraction analysis. It crystallizes in monoclinic, space group C2/c with a = 27.572(3), b = 5.5064(5), c = 23.310(2) , = 124.785(1)o, C15H19Cdo.5ON2O3, Mr =331.52, V = 2906.6(5) ?, Z = 4, Dc = 1.515 g/cm3, F(000) = 1368 and = 0.801 mm-1. The final R = 0.0403 and wR = 0.1014 for 1795 observed reflections with I≥4(I). The centrosymmetric Cd(II) is six- coordinated in a distorted octahedral geometry, and the dapm in a trans mode acts as a monoden- tate ligand. The intermolecular hydrogen bonds among coordinated aqua molecules with coordi- nated acetate oxygen atoms and uncoordinated dapm nitrogen atoms form a two-dimensional supramolecular framework.展开更多
The reaction of 4-hydroxybenzoic acid (H2L),4, 4-diaminodiphenylmethane (DADPM) and Cd(NO3)2?H2O in methane/water gave rise to a seven-coordinate Cd(Ⅱ) complex [Cd2(HL)4(H2O)6]?H2O which has been characterized by sin...The reaction of 4-hydroxybenzoic acid (H2L),4, 4-diaminodiphenylmethane (DADPM) and Cd(NO3)2?H2O in methane/water gave rise to a seven-coordinate Cd(Ⅱ) complex [Cd2(HL)4(H2O)6]?H2O which has been characterized by single-crystal X-ray diffraction. The complex crystallizes in the orthorhombic system, space group Pna21 with unit cell parameters: a = 10.3352(3), b = 12.0481(3), c = 28.2016(1) ? V = 3511.65(13) 3, Z = 4, C28H36Cd2O20, Mr = 917.37, Dc = 1.735 g/cm3, F(000) = 1840, (MoK? = 1.29mm-1. The final R and wR are 0.0536 and 0.1086 for 4898 observed reflections with I ≥ 4(I). The Cd(Ⅱ) is seven-coordinated in a distorted pentagonal bipyramidal geometry. The inter-molecular hydrogen bonds lead to the formation of a two-dimensional layer structure.展开更多
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 compo...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.展开更多
The compound [Cd（L）2（NO3）]NO3·0.5H2O （L = N-benzyl-2-（quinolin-8-yloxy）aceta- mide） 1 has been synthesized and structurally determined by single-crystal X-ray diffraction, elemental analysis, IR and UV sp...The compound [Cd（L）2（NO3）]NO3·0.5H2O （L = N-benzyl-2-（quinolin-8-yloxy）aceta- mide） 1 has been synthesized and structurally determined by single-crystal X-ray diffraction, elemental analysis, IR and UV spectroscopy. The crystal belongs to the triclinic system, space group P1 with a = 11.7175（13）, b = 11.8873（13）, c = 14.0958（16） A, α = 74.889（2）, β= 78.228（2）, γ = 78.831（2）°, V= 1835.0（4） A3, Z= 1, Dc= 1.502 Mg/m3, Mr = 1660.17,μ = 0.662 mm-1, F（000） = 846, 2（MoKa） = 0.71073 A, the final R = 0.0585 and wR = 0.0577 for all observed reflections. The results show that the Cd（II） ion with a square antiprismatic geometry is coordinated by a N206 donor set, two NO2 sets from two ligands and two O atoms from a bidendate nitrate group. In the crystal, the O-H...O and N-H...O hydrogen bonds are helpful to consolidate the three- dimensional network.展开更多
基金This work was supported by the National Natural Science Foundation of China (No. 20331010 and 20571045) Natural Science Foundation of Tianjin (No. 043602211)
文摘Two novel complexes {[Zn（IM4py）2（tp）（H2O）]2H2O}. 1 and {[Cd（IM4py）2（tp）- （H2O）]1.25H2O},, 2 （IM4py = 2-（4＇-pyridinyl）-4,4,5,5-tetramethylimidazoline-l-oxyl and tp = terephthalate dianion） have been synthesized and characterized by elemental analyses, IR spectrum and single-crystal X-ray diffraction. Crystal data for complex I： monoclinic, space group C2/c, a = 20.648（7）, b = 12.130（4）, c = 14.036（4） A, β = 106.351（5）°, C32H42N6O9Zn, Mr = 720.09, V = 3373.3（2） A3, Z= 4, Dc = 1.418 g/cm^3μt（MoKα） = 0.790 mm^-1, F（000） = 1512, the final R = 0.0407 and wR = 0.0894 for 3480 independent reflections with Rint = 0.0432. Crystal data for complex 2： monoclinic, space group C2/c, a = 21.332（6）, b = 12.063（3）, c = 14.246（4） A, β = 106.704（4）°, C32H40.50N6O8.25Cd, Mr = 753.60, V= 3511.2（2） A^3, Z = 4, Dc = 1.426 g/cm^3,μ（MoKα） = 0.679 mm^--1, F（000） = 1554, the final R = 0.0419 and wR = 0.0961 for 3627 independent reflections with Rint = 0.0440. The framework structures of complexes 1 and 2 are 3-D networks via the hydrogen bonds among 1-D chains. The notable characteristics of the two complexes are that the coordination polyhedron of Zn（Ⅱ） adopts a rare distorted five-coordinate square pyramidal geometry in 1, and the Cd（Ⅱ） complex exhibits an unusual distorted seven-coordinate pentagonal bipyramid in 2.
基金Supported by the Key Subject of Huangshan University (No. 2007xkjq013)
文摘The two title complexes [{Cd（IBG-CH3）（4,4＇-bipy）（H2O）2}·NO3]n 1 and [{Cd（IBG）- （4,4＇-bipy）（H2O）2}·2H2O]n 2 （H2IBG = isophthaloylbisglycine and 4,4＇-bipy = 4,4＇-bipyridine） have been synthesized and characterized by single-crystal structure determination,IR and TG analyses. Complex 1 crystallizes in monoclinic,space group C2/c with a = 27.221（2）,b = 11.6093（7）,c = 16.3571（9）A,V = 5149.2（6） A^3,Z = 8,C23H23N5O11Cd,Mr = 657.86,Dc = 1.697 g/cm^3,F（000） = 2656.00,μ（MoKα） = 0.919 mm^-1,the final R = 0.0478 and wR = 0.0882 for 3728 observed reflections with I 〉 2σ（I）. Complex 2 crystallizes in triclinic,space group Pī with a = 9.0940（4）,b = 11.6852（5）,c = 13.1119（6）A,V = 1230.26 A^3,Z = 2,C22H26N4O10Cd,Mr = 618.87,Dc = 1.671 g/cm^3,F（000） = 628.0,μ（MoKα） = 0.951 mm^-1,the final R = 0.0567 and wR = 0.1124 for 3713 observed reflections with I 〉 2σ（I）. In both structures,the CdII metal centers are coordinated by seven atoms to form a distorted pentagonal bipyramidal geometry.
基金supported by NNSFC (20971085)"973" Programs (2007CB209701 and 2009CB930403)the Key Project and Scientific Research Foundation for the Returned Overseas Chinese Scholars of State Education Ministry
文摘Two homochiral mercury （1） and cadmium （2） complexes derived from chiral twisted biphenyl pyridine ligand （3,3＇-bipyridine-5,5＇,6,6＇-tetramethyl-2,2＇-dimethoxy-1,1＇-biphenyl） have been synthesized and characterized by IR, microanalysis, TGA, UV-Vis, powder and single-crystal X-ray crystallography. Both 1 and 2 crystallize in orthorhombic space group P21212 with Z = 2. For 1, a = 14.2038（16）, b = 14.3630（17）, c = 7.0257（8）, V = 1433.3（3）3, Mr = 878.91, Dc = 2.037 g/cm3, μ = 7.549 mm-1, F（000） = 824, the final GOF = 1.017, R = 0.0296 and wR = 0.0645 for 2925 observed reflections with I 2σ（I）. For 2, a = 14.212（3）, b = 14.392（3）, c = 7.0498（14）, V = 1442.0（5）3, Mr = 790.72, Dc = 1.821 g/cm3, μ = 2.924 mm–1, F（000） = 760, the final GOF = 1.075, R = 0.0340 and wR = 0.0834 for 3144 observed reflections with I 2σ（I）. The crystal structures of 1 and 2 are isostructural and each adopts a two-dimensional supramolecular network which contains the C–H···π interactions.
基金Supported by the Program for New Century Excellent Talents in University(NCET-10-0176)the Natural Science Foundation of Jilin Province(No.20130521019JH)the fund of Jilin Provincial Education Department of China(No.2014154)
文摘Two new metal-organic complexes [Cd2（1,4-BDC）（4-pytyp）（H2O）4]·（1,4-BDC）（1） and [Cu2（1,4-BDC）（4-pytyp）2（H2O）2]·（1,4-BDC）·8H2O（2）（4-pytyp = 4＇-（4＇＇-pyridyl）-2,2＇：6＇,2＇＇-terpyridine, 1,4-H2 BDC = 1,4-benzenedicarboxylic acid） have been synthesized under hydrothermal conditions and characterized by elemental analysis, infrared analysis and X-ray single-crystal diffraction. The scrutiny of single-crystal structure reveals that complex 1 forms to a 3D supramolecular network linked by π-π stacking interactions and hydrogen bonds. X-ray diffraction analysis reveals that complex 2 exhibits a 3D supramolecular network linked through complicated hydrogen bonds. The thermogravimetric analysis and photoluminescent properties of 1 and 2 are discussed in detail.
基金Supported by the Natural Science Foundation of Education Department of Henan Province (No. 2011B150025)
文摘Two novel complexes, [Cd2（BMQU）2Cl4] （1） and [Ni（BMQU）2HPO4]·1.5H2O （2） （BMQU = 2-（2-benzimidazolyl）quinoline）, were synthesized by the hydrothermal method and characterized by elemental analysis, IR, and TG-DTG. The crystal structures were determined by single-crystal X-ray diffraction. Both 1 and 2 crystallize in the triclinic system, space group P . The data for 1： a = 0.8342（7）, b = 0.9226（9）, c = 1.0646（8） nm, α = 90.819（2）, β = 97.466（2）, γ = 98.280（2）°. The Cd（Ⅱ） is coordinated with three chlorine atoms and two nitrogen atoms of a BMQU molecule, generating a distorted square-pyramidal geometry. The dinuclear Cd（Ⅱ） complex is formed by two chlorine bridge bonds, and the one-dimensional chain structure is constructed with the hydrogen bond N-H…Cl and π-π stacking interaction. The data for 2： a = 1.2251（1）, b = 1.2451（1）, c = 1.2868（1） nm, α = 107.510（2）, β = 98.630（1）, γ = 109.921（2）°. The Ni（Ⅱ） is coordinated with four nitrogen atoms of two BMQU molecules and two oxygen atoms of a HPO42-, forming a distorted-octahedral geometry. The two-dimensional layer structure is formed by the hydrogen bonds and π-π stacking interaction between neighboring molecules. Complex 1 shows a strong blue fluorescence emission （λmax= 456 nm） at solid state.
基金This work was supported by the Natural Science Foundation of Guangxi Province (No. 0229004)
文摘Two new ternary complexes [Zη（3-aba）2（phen）]·2.58H2O 1 and {[Cd（3-aba）- （phen）2]·（NO3）·（1.5H2O） }n 2 （3-aba = 3-aminobenzoic acid anion, phen = 1,10-phenanthroline） were synthesized and characterized by elemental analysis, IR, UV spectrum and X-ray diffraction. Complex 1 crystallizes in the rhombohedral system, space group R3 with a = 3.5733（3）, b = 3.5733（3）, c = 1.1231（2） nm; V= 12.419（3） nm^3, C26H25.17NaO6.58Zn, Mr= 564.37, Z= 18, F（000） = 5253, μ= 0.937 mm^-1, Dc = 1.358 g/cm^3, R = 0.0668 and wR = 0.1690 for 2424 observed reflections （I〉 2σ（I））. Complex 2 belongs to the tetragonal system, space group P4/ncc with a = 2.88451（10）, b = 2.88451（10）, c = 1.55571（11） nm, V= 12.9441（11） nm^3, C31H25CdN6O6.50, Mr = 697.97, Z = 16, F（000） = 5648,μ=0.727 mm^-1, Dc= 1.433 g/cm^3, R = 0.0607 and wR = 0.1742 for 3468 observed reflections （I 〉 2σ（I））. Complex 1 displays a mononuclear structure. The carboxylate group of 3-aminobenzoic acid anion coordinates to Zn（Ⅱ） in a chelating bidentate mode, and the nitrogen atom of the ligand does not involve in coordination. Complex 2 exhibits a one-dimensional chain structure with 3-aminobenzoic acid anion coordinating to Cd（Ⅱ） in a μ2-bridging mode through its nitrogen atom and one of its oxygen atoms.
文摘Two new transition-metal coordination polymers,{[Cd(oba)(L)_(2)]·H_(2)O}_n(1)and[Cd(4-nph)(L)_(2)]_n(2)(H_(2)oba=4,4'-oxydibenzoic acid,4-H_(2)nph=4-nitrophthalic acid,L=2,2'-biimidazole),were successfully synthesized under hydrothermal conditions and characterized structurally by IR spectroscopy,elemental analyses,single-crystal X-ray diffraction,powder X-ray diffraction,and thermogravimetric analysis.The results of single-crystal X-ray diffraction show that complex 1 presents a 1D zigzag chain structure and further extends to a 2D network through N—H…O hydrogen bonds andπ-πstacking interactions.Meanwhile,complex 2 has a zero-dimensional structure and also extends to form a 2D network through N—H…O hydrogen bonds andπ-πstacking interactions.In addition,both 1and 2 exhibited luminescent properties in the solid state.Furthermore,quantum chemical calculations were carried out on the"molecular fragments"extracted from the crystal structures of 1 and 2 using the PBE0/LANL2DZ method constructed by the Gaussian 16 program.The calculated values signify a significant covalent interaction between the coordination atoms and the Cd(Ⅱ)ions.CCDC:2332173,1;2332176,2.
基金Supported by the 973 Program (2006CB932903, 2007CB815303)NNSFC, NSF of Fujian Province (2006F3134)+1 种基金"One Hundred Talent Project"Key Projects from CAS
文摘Eight neutral mononuclear complexes constructed from transition metals （M = Co（Ⅱ）, Ni（Ⅱ）, Cu（Ⅱ）, Zn（Ⅱ）, Cd（Ⅱ）） and ligands N-（2-pyridylmethyl）-L-phenylalanine （L-Hpmpa） and N-（2-pyridylmethyl）-L-tyrosine （L-Hpmtyr） have been synthesized by both hydrothermal and conventional room temperature reactions. Four of them have been structurally characterized by single-crystal X-ray diffractions. They are： [Co（L-pmpa）2·2H2O] 1, [Ni（L-pmpa）2·2H2O] 2, [Cu（L-pmpa）2·2H2O] 3 and [Cu（L-pmtyr）2·2H2O] 4. Single-crystal X-ray analysis, IR and elemental analysis revealed that complexes 1, 2 and 3 are isostructural. Powder X-ray diffraction, IR and elemental analysis revealed that complexes 4, 5 （Zn[L-pmtyr]2·2H2O）, 6 （Cd[L-pmtyr]2·2H2O）, 7 （Co[L-pmtyr]2·2H2O） and 8 （Ni[L-pmtyr]2·2H2O） are isostructural. The photoluminescence properties of L-Hpmtyr ligand, compounds 5 and 6 were also investigated.
基金financially supported by the Natural Science Foundation of Guangdong Province(No.10152404801000017)Guangdong Province Undergraduate Training Programs for Innovation
文摘The complex [Cd（bbb）Cl2]·DMF·H2O, where bbb is 2-（2-（1H-benzo[d]imidazol-2-yl）benzyl）-1H-benzo[d]imidazole, was synthesized and characterized by X-ray single-crystal structure analyses. For the complex： C24H25Cl2CdN5O2, Mr = 598.77, crystal system, triclinic, space group P1, a = 9.9878（12）, b = 10.0008（12）, c = 13.2217（15） , α = 80.674（2）, β = 72.158（2）, γ = 86.776（2）°, V = 1240.5（3） 3, Z = 2, Dc = 1.598 g/cm3, λ = 0.71073, μ（MoKα） = 1.127 mm–1, F（000） = 600, S = 1.04, R = 0.0905 and wR = 0.3088 for 4805 observed reflections with I 〉 2σ（I）. It is a neutral complex. The distorted tetrahedral geometry of cadmium ion is coordinated by two nitrogen atoms of ligand and two chloride ions. The complex emits blue green luminescence with emission peaks at 480 nm in DMF solution.
基金This work was supported by the NSF for Distinguished Young Scientist of China (20425104) and the NSF of Fujian Province (2005I017, A0420002)
文摘A new flexible double betaine L （L = 1,4-bis（pyridinio-4-carboxylato-N-methyl）benzene, C20H16N2O4） and its cadmium（Ⅱ） complex [Cd（H2O）aL（NO3）]NO3.H2O 1 were synthesized. Complex 1 was obtained by self-assembly reaction of [Cd（NO3）2]-4H2O and L in hot water,and its crystal structure was determined by single-crystal X-ray diffraction analysis. Crystallographic data for complex 1： C20H24CdN4O14.H2O, Mr = 674.85, monoclinic, space group P21/c, a =13.7854（3）, b = 14.2820（3）, c = 14.9188（4） ,A°, β = 116.418（1）°, V = 2630.5（1）A°^3, Z = 4, Dc= 1.704g/cm^3,/J（MoKα） = 0.911 mm^-1, F（000） = 1368, the final R = 0.0315 and wR = 0.0768 for 3637 observed reflections with I 〉 2σ（I）. In complex 1, L acts as a monodentate ligand to link a Cd（Ⅱ） ion in a novel coordination mode of double betaines. The mononuclear [Cd（H2O）aL（NO3）] units are connected through intermolecular hydrogen bonds and π-π stacking reactions to generate a 3D network.
基金supported by the National Natural Science Foundation of China(No.51302067)the Team of Guangdong Ocean University(No.1312435)
文摘One new luminescent material of complex {[Cd（DPA）（H_2O）_2]·（H_2O）_2}_n（1） was synthesized by evaporation methods using 3,3A-thiodipropionic acid（DPA） and cadmium nitrate as the starting materials. Compound 1 crystallizes in the monoclinic system,space group P2_1/n with a = 7.5460（7）,b = 13.372（3）,c = 12.304（3） A,β = 95.95（3）o,V = 1234.8（4） A^3,D_c = 1.940 g/cm^3,C_6H_（16）O_8 SCd,M_r = 360.65,F（000） = 720,μ（Mo Ka） = 1.960 mm^-1,Z = 4,R = 0.0460 and wR = 0.1185 for 1835 observed reflections（I 〉 2σ（I））,and R = 0.0591,wR = 0.1245 for all data. The complex has been characterized by elemental analysis,FT-IR,TG,PXRD and X-ray single-crystal structure analysis and the fluorescence property has also been studied. As a result,complex 1 possesses a two-dimensional（2-D） structure through DPA ligands interconnecting Cd2＋ ions. Complex 1 emits the intense fluorescence of 420 nm in the solid state at room temperature.
基金Fund of Science and Technology Committee of Hunan Province(No.2012GK3030)Scientific Research Fund of Hunan Provincial Education Department(No.11C0186)+1 种基金Hengyang Bureau of Science and Technology(No.2011kG28)the Key Discipline Project of Hunan Province
文摘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.
基金supported by the Natural Science Foundation of Guangdong Province(No.1414050000021)the National Natural Science Foundation of China((NO.21403191))the State Undergraduate Training Programs for Innovation
文摘A complex [Cd2（tbb）C14]·4DMF·3H2O, where tbb is 1,2,3,4-tetra（1H-benzo[d]imi- dazol-2-yl）butane, was synthesized and characterized by X-ray single-crystal structure analyses. For this complex： C44H49Cd2C14N12OT, Mr= 1224.55, monoclinie system, space group C2/c, a = 29.563（3）, b = 14.2580（17）, c = 26.355（3） A,β = 97.036（2）°, V = 11025（2） A3, Z = 8, D,.= 1.475 g/cm3, 2 = 0.71073 A, IL（MoKa） = 1.021 mm-1, F（000） = 4936, S = 1.047, R = 0.0680 and wR = 0.1832 for 11812 observed reflections with I 〉 2σ（I）. It is a neutral dinuclear complex. One 1,2,3,4-tetra（1H-benzo[d]imidazol-2-yl）butane coordinates to two cadmium ions. Each cadmium ion is coordinated by two nitrogen atoms of tbb and two chloride ions. The complex emits blue luminescence in DMF solution as well as in solid powder state.
基金the provincial education foundation of Fujian (JA99135) the test foundation of Fuzhou University
文摘The title complex Cd(dppf)Br2 (dppf=1,1′-bis(diphenylphosphino)ferrocene) (C34H28Br2 P2CdFe, Mr=826.57) has been synthesized and characterized by X-ray diffraction. The crystal is in monoclinic, space group C2/c with cell parameters: a = 34.285(4), b = 10.050(1), c = 18.697(2) ? β= 98.843(3)? V = 6366(1)3, Z = 8, Dc = 1.725g/cm3, (MoKa) = 0.71073 ? =3.757mm-1, F(000)=3248. The final refinement with 4469 observed reflections and 361 parameters gave R=0.0584 and wR=0.1522. The 1,1′-bis(diphenylphosphino)ferrocene group is connected to the Cd atom as a bidentate ligand. The Cd atom has a distorted tetrahedral coordination.
基金supported by NNSFC (No. 20671066), Jiangsu Province (No. BK2006049) the Key Laboratory of Organic Synthesis of Jiangsu Province (No. JSK0612)
文摘The new cadmium（N） coordination polymer [Cd（bte）2（dca）2]n 1 （bte = 1,2-bis（1,2,4- triazol-1-yl）ethane, dca = dicyanamide） was synthesized and characterized by single-crystal X-ray diffraction. The crystal is of monoclinic, space group P21/n with a = 8.7148（15）, b = 8.6142（17）, c = 15.204（3） A, fl= 92.100（10）°, V= 1140.6（4） A3, Z= 2, Mr = 572.87, Dc= 1.668 g/cm3, F（000） = 572, /t = 1.004 mm-l, the final R = 0.0654 and wR = 0.1429 for 1737 observed reflections （I 〉 2σ（I））. The cadmium atom is coordinated equatorially by four nitrogen atoms from four bte ligands and axially by two nitrogen atoms from two dca anions to adopt a distorted octahedral geometry. Each bte molecule bridges two cadmium（II） atoms. Two strands of bte molecules are wrapped around each other, and held together by cadmium（H） atoms. 1 Forms a double chain structure containing eighteen-membered Cd2（bte）2 rings.
基金financially supported by the Natural Science Foundation of Guangdong Province(No.2014A030307010)Special funds for public welfare research and capacity building of Guangdong Province(Nos.2015A010105031,2016A010103042 and 2015A020211038)+1 种基金the National Spark Program Project(No.2015GA780053 and 2015GA780033)Lingnan Normal University Science Research Foundation(No.LZL1504)
文摘A dinuclear cadmium complex [Cd2（bpbb）2Cl2（μ-Cl2）], where bpbb is 1,2-bis（1-phenyl-1H-benzo[d]imidazol-2-yl）benzene, was synthesized and characterized by X-ray singlecrystal structure analyses. Crystal data： C（64）H（44）Cd2Cl4N8, Mr = 1291.67, triclinic system, space group P1, a = 10.076（3）, b = 12.730（4）, c = 13.176（4） A, α = 99.087（3）, β = 109.859（3）, γ = 112.551（3）°, V = 1384.8（7） A3, Z = 1, Dc = 1.549 g/cm^3, λ = 0.71073 A, μ（Mo Kα） = 1.010 mm^（–1）, F（000） = 648, S = 1.062, R = 0.0425 and wR = 0.1130 for 9688 observed reflections with I 〉 2s（I）. One 1,2-bis（1-phenyl-1H-benzo[d]imidazol-2-yl）benzene coordinates to one cadmium ion. The cadmium is five-coordinated by three chloride ions and two nitrogen atoms from bpbb. Each cadmium ion is bridged by two chloride ions. The decomposition temperature is up to 420 ℃. The complex emits blue luminescence in DMF solution and in solid powder state.
文摘A two-dimensional hydrogen-bonded cadmium(II) compound [Cd(dapm)2- (CH3COO)2(H2O)2] (dapm = diaminodiphenylmethane) has been synthesized and characterized by single-crystal X-ray diffraction analysis. It crystallizes in monoclinic, space group C2/c with a = 27.572(3), b = 5.5064(5), c = 23.310(2) , = 124.785(1)o, C15H19Cdo.5ON2O3, Mr =331.52, V = 2906.6(5) ?, Z = 4, Dc = 1.515 g/cm3, F(000) = 1368 and = 0.801 mm-1. The final R = 0.0403 and wR = 0.1014 for 1795 observed reflections with I≥4(I). The centrosymmetric Cd(II) is six- coordinated in a distorted octahedral geometry, and the dapm in a trans mode acts as a monoden- tate ligand. The intermolecular hydrogen bonds among coordinated aqua molecules with coordi- nated acetate oxygen atoms and uncoordinated dapm nitrogen atoms form a two-dimensional supramolecular framework.
基金This work was financially supported by the National Natural Science Foundation of China the Key Project of Chinese Academy of Sciences
文摘The reaction of 4-hydroxybenzoic acid (H2L),4, 4-diaminodiphenylmethane (DADPM) and Cd(NO3)2?H2O in methane/water gave rise to a seven-coordinate Cd(Ⅱ) complex [Cd2(HL)4(H2O)6]?H2O which has been characterized by single-crystal X-ray diffraction. The complex crystallizes in the orthorhombic system, space group Pna21 with unit cell parameters: a = 10.3352(3), b = 12.0481(3), c = 28.2016(1) ? V = 3511.65(13) 3, Z = 4, C28H36Cd2O20, Mr = 917.37, Dc = 1.735 g/cm3, F(000) = 1840, (MoK? = 1.29mm-1. The final R and wR are 0.0536 and 0.1086 for 4898 observed reflections with I ≥ 4(I). The Cd(Ⅱ) is seven-coordinated in a distorted pentagonal bipyramidal geometry. The inter-molecular hydrogen bonds lead to the formation of a two-dimensional layer structure.
基金supported by the Natural Science Foundation of Henan Province (No.0511022600)the Department of Education of Henan Province (No.200510482006)
文摘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.
基金supported by the National Natural Science Foundation of China(21001040)
文摘The compound [Cd（L）2（NO3）]NO3·0.5H2O （L = N-benzyl-2-（quinolin-8-yloxy）aceta- mide） 1 has been synthesized and structurally determined by single-crystal X-ray diffraction, elemental analysis, IR and UV spectroscopy. The crystal belongs to the triclinic system, space group P1 with a = 11.7175（13）, b = 11.8873（13）, c = 14.0958（16） A, α = 74.889（2）, β= 78.228（2）, γ = 78.831（2）°, V= 1835.0（4） A3, Z= 1, Dc= 1.502 Mg/m3, Mr = 1660.17,μ = 0.662 mm-1, F（000） = 846, 2（MoKa） = 0.71073 A, the final R = 0.0585 and wR = 0.0577 for all observed reflections. The results show that the Cd（II） ion with a square antiprismatic geometry is coordinated by a N206 donor set, two NO2 sets from two ligands and two O atoms from a bidendate nitrate group. In the crystal, the O-H...O and N-H...O hydrogen bonds are helpful to consolidate the three- dimensional network.
