A new nickel coordination compound [Ni(L2-)(2,2′-bipy)(H2O)]·2H2O (H2L=phenyliminodiacetic acid) was obtained by self-assembly of phenyliminodiacetic acid, 2,2′-bipy, and NiCl2·6H2O in the mixed solvent of...A new nickel coordination compound [Ni(L2-)(2,2′-bipy)(H2O)]·2H2O (H2L=phenyliminodiacetic acid) was obtained by self-assembly of phenyliminodiacetic acid, 2,2′-bipy, and NiCl2·6H2O in the mixed solvent of water and ethanol (V∶V=1∶1). The complex was characterized by elemental analysis, IR spectra, and X-ray crystallography analysis. The crystal is monoclinic, space group P21 / c with a=0.867 4(2) nm, b=0.907 3(1) nm, c=2.643 5(5) nm, β=91.01(1)°, V=2.080 2(4) nm3, Z=4, F(000)=992, Dc=1.520 Mg·m-3, R1=0.027 0 and wR2=0.067 5. In the complex, nickel atom is coordinated with a distorted octahedral geometry and extensive hydrogen bonds link the complexes into a 2D network structure. CCDC: 244926.展开更多
A new mono-nuclear CuII complex [Cu（DPP）（DP）Br]（ClO4）H2O （DPP = 2-（3,5- dimethyl-1H-pyrazol-1-yl）-1,10-phenanthroline, DP = 3,5-dimethyl-1H-pyrazole） has been syn- thesized with 2-（3,5-dimethyl-1H-pyrazol-1...A new mono-nuclear CuII complex [Cu（DPP）（DP）Br]（ClO4）H2O （DPP = 2-（3,5- dimethyl-1H-pyrazol-1-yl）-1,10-phenanthroline, DP = 3,5-dimethyl-1H-pyrazole） has been syn- thesized with 2-（3,5-dimethyl-1H-pyrazol-1-yl）-1,10-phenanthroline and 3,5-dimethyl-1H-pyrazole as ligands, and its crystal structure was determined by X-ray crystallography. The crystal is of monoclinic system, space group P21/c with a = 13.765（2）, b = 17.044（3）, c = 10.9044（16）, β= 97.112（2）°, V = 2538.5（6）3, Z = 4, C22H24BrClCuN6O5, Mr = 631.37, Dc = 1.652 g/cm3, F（000） = 1276 and μ= 2.585 mm-1. In the crystal, DPP functions as a tridentate ligand and CuII ions assume a distorted square pyramidal geometry with Br atom lying on the apex, and at the same time, there is π-π stacking between adjacent complexes, which deals with two 1,10-phenanthroline plane rings. In addition to the π-π stacking, there are C-H···Br non-classic hydrogen bonds between adjacent complexes. The theoretical calculations reveal that the π-π stacking and C-H···Br non-classic hydrogen bond result in a weak anti-ferromagnetic interaction with 2J = -5.34 cm-1 and a weak ferromagnetic 2J = 5.92 cm-1, respectively. The magnetic coupling sign from the π-π stacking could be explained with McConnell I spin-polarization mechanism.展开更多
The title compound, [Co(C16H10N2S4)2(H2O)4](C14H9N2O4)2(1,C16H10N2S4=4-pyridine-tetrathiafulvalene-4-pyridine and C14 H9 N2 O4 = 4-(4-carboxyphenyl)diazenyl)benzoate),has been successfully synthesized under hydrotherm...The title compound, [Co(C16H10N2S4)2(H2O)4](C14H9N2O4)2(1,C16H10N2S4=4-pyridine-tetrathiafulvalene-4-pyridine and C14 H9 N2 O4 = 4-(4-carboxyphenyl)diazenyl)benzoate),has been successfully synthesized under hydrothermal conditions. The structure was determined by elemental analyses and single-crystal X-ray diffraction analysis. Moreover, the conductivity property of compound 1 was investigated. Compound 1 crystallizes in triclinic system, space group P1 with a = 6.4006(3), b = 7.1818(4), c = 33.0932(14) ?, α = 89.261(4), β = 86.530(3), γ = 66.642(4)°, V =1393.90(12) ?3, Z = 1, C60 H46 N8 O12 S8 Co, M3 r = 1386.46, Dc = 1.652 g/cm, μ = 0.684 mm-1 and F(000) = 713. The final R = 0.0411 and wR = 0.0810 for 3936 observed reflections with I > 2σ(I).Compound 1 contains one-half of the complex cation with the CoI I ion located on an inversion center,and one 4-(4-carboxyphenyl)diazenyl)benzoate counter anion. The Co atom has a N2 O4 octahedral coordination. Complex 1 forms a three-dimensional supramolecular network and a semiconducting behavior is observed with srt= 0.04 S·cm-1.展开更多
Cobait（Ⅱ） nitrate reacted with 1,10-phenanthroline （phen） and 5-sulfosaiicylic acid （H3ssal） to yield the cobait（Ⅰ） complex [Co（phen）2（H2O）2]（Hssal）o4H2O （1） and the reaction of 1 with copper acetate...Cobait（Ⅱ） nitrate reacted with 1,10-phenanthroline （phen） and 5-sulfosaiicylic acid （H3ssal） to yield the cobait（Ⅰ） complex [Co（phen）2（H2O）2]（Hssal）o4H2O （1） and the reaction of 1 with copper acetate led to a novel complex [Co（phen）（H2O）4][Cu2（ssal）2（phen）2]·5H2O （2）. These two complexes were cationanion species and the cationic motif [Co（phen）2（H2O）2]^2＋of 1 could be converted to [Co（phen）（H2O）4]^2＋ in the formation process of new anion [Cu2（phen）2（ssal）2]^2- of 2. In both complexes abundant hydrogen bonds construct different supramolecular architectures, thus the conversion reaction can provide a new path to create novel supramolecular network.展开更多
The reactions of 4-pyrimidin-5-ylbenzoic acid （HL） with Co（NO3）2·6H2O and Ni（NO3）2·6H2O gave rise to two isomorphous mononuclear coordination complexes, namely, [CoL2（H2O）4] （1） and [NiL2（H2O）4] ...The reactions of 4-pyrimidin-5-ylbenzoic acid （HL） with Co（NO3）2·6H2O and Ni（NO3）2·6H2O gave rise to two isomorphous mononuclear coordination complexes, namely, [CoL2（H2O）4] （1） and [NiL2（H2O）4] （2）. Both compounds were characterized by IR spectroscopy and single-crystal X-ray diffraction. X-ray crystallographic analyses reveal that they crystallize in monoclinic, space group P21/n. In the crystal structures of these two complexes, only one nitrogen atom of L coordinates to the metal center, and neither carboxylate group nor another nitrogen atom of L links to Co（Ⅱ） or Ni（Ⅱ）. 2D Layers with significant hydrogen bonds can be observed, and they are further linked by L to form a 3D supramolecular network. Nitrogen atoms are not involved in forming hydrogen bonds, but carboxylic groups of the ligands play an important role in the configuration of this hydrogen-bond layer.展开更多
Two new bimetallic cyano-bridged complexes [Ce（DMSO）4（H2O）3Fe（CN）6]·H2O 1 and [La（DMSO）4（H20）3Co（CN）6].H20 2 have been prepared by the ball milling reaction method and structurally characterized by X-...Two new bimetallic cyano-bridged complexes [Ce（DMSO）4（H2O）3Fe（CN）6]·H2O 1 and [La（DMSO）4（H20）3Co（CN）6].H20 2 have been prepared by the ball milling reaction method and structurally characterized by X-ray single-crystal structure analyses. Crystallographic data for 1： C14H32CeFeN6O8S4, Mr= 736.67, monoclinic, space group P2 1/n, a = 14.952（1）, b = 13.7276（9）, c = 15.392（1） A, β= 108.288（1）°, V = 2999.6（4） A3, Z = 4, Dc= 1.631 g/cm^3, g = 2.304 mm^-1, F（000） = 1480, R = 0.0593 and wR = 0.1611; and those for 2： C14H32CoLaN6O8S4, Mr=738.54, monoclinic, space group P21/n, a = 14.945（3）, b = 13.731（3）, c = 15.300（3） A, β= 107.806（1）°, V= 2989.3（11） A^3, Z= 4, Dc = 1.641 g/cm^3, μ = 2.288 mm^-1, F（000） = 1480, R = 0.0383 and wR = 0.1132. In both complexes the lanthanide ion is eight-coordinated in a square antiprism arrangement, and the Fe（Ⅲ） or Co（Ⅲ） ion in a nearly regular octahedral environment The [LnM（CN）6（DMSO）4（H2O）3]·H2O （Ln = Ce and M = Fe for 1; Ln = La and M = Co for 2） species are held together via hydrogen bonds by coordinated water molecules, lattice water molecules and nitrogen atoms of cyanide groups to form a three-dimensional framework.展开更多
文摘A new nickel coordination compound [Ni(L2-)(2,2′-bipy)(H2O)]·2H2O (H2L=phenyliminodiacetic acid) was obtained by self-assembly of phenyliminodiacetic acid, 2,2′-bipy, and NiCl2·6H2O in the mixed solvent of water and ethanol (V∶V=1∶1). The complex was characterized by elemental analysis, IR spectra, and X-ray crystallography analysis. The crystal is monoclinic, space group P21 / c with a=0.867 4(2) nm, b=0.907 3(1) nm, c=2.643 5(5) nm, β=91.01(1)°, V=2.080 2(4) nm3, Z=4, F(000)=992, Dc=1.520 Mg·m-3, R1=0.027 0 and wR2=0.067 5. In the complex, nickel atom is coordinated with a distorted octahedral geometry and extensive hydrogen bonds link the complexes into a 2D network structure. CCDC: 244926.
基金supported by the National Natural Science Foundation of China (No. 20971080)the Natural Science Foundation of Shandong Province (No. ZR2009BM026 and ZR2009BL002)
文摘A new mono-nuclear CuII complex [Cu（DPP）（DP）Br]（ClO4）H2O （DPP = 2-（3,5- dimethyl-1H-pyrazol-1-yl）-1,10-phenanthroline, DP = 3,5-dimethyl-1H-pyrazole） has been syn- thesized with 2-（3,5-dimethyl-1H-pyrazol-1-yl）-1,10-phenanthroline and 3,5-dimethyl-1H-pyrazole as ligands, and its crystal structure was determined by X-ray crystallography. The crystal is of monoclinic system, space group P21/c with a = 13.765（2）, b = 17.044（3）, c = 10.9044（16）, β= 97.112（2）°, V = 2538.5（6）3, Z = 4, C22H24BrClCuN6O5, Mr = 631.37, Dc = 1.652 g/cm3, F（000） = 1276 and μ= 2.585 mm-1. In the crystal, DPP functions as a tridentate ligand and CuII ions assume a distorted square pyramidal geometry with Br atom lying on the apex, and at the same time, there is π-π stacking between adjacent complexes, which deals with two 1,10-phenanthroline plane rings. In addition to the π-π stacking, there are C-H···Br non-classic hydrogen bonds between adjacent complexes. The theoretical calculations reveal that the π-π stacking and C-H···Br non-classic hydrogen bond result in a weak anti-ferromagnetic interaction with 2J = -5.34 cm-1 and a weak ferromagnetic 2J = 5.92 cm-1, respectively. The magnetic coupling sign from the π-π stacking could be explained with McConnell I spin-polarization mechanism.
基金supported by the National Natural Science Foundation of China(21372136)Ningbo Natural Science Foundation 2015A610126
文摘The title compound, [Co(C16H10N2S4)2(H2O)4](C14H9N2O4)2(1,C16H10N2S4=4-pyridine-tetrathiafulvalene-4-pyridine and C14 H9 N2 O4 = 4-(4-carboxyphenyl)diazenyl)benzoate),has been successfully synthesized under hydrothermal conditions. The structure was determined by elemental analyses and single-crystal X-ray diffraction analysis. Moreover, the conductivity property of compound 1 was investigated. Compound 1 crystallizes in triclinic system, space group P1 with a = 6.4006(3), b = 7.1818(4), c = 33.0932(14) ?, α = 89.261(4), β = 86.530(3), γ = 66.642(4)°, V =1393.90(12) ?3, Z = 1, C60 H46 N8 O12 S8 Co, M3 r = 1386.46, Dc = 1.652 g/cm, μ = 0.684 mm-1 and F(000) = 713. The final R = 0.0411 and wR = 0.0810 for 3936 observed reflections with I > 2σ(I).Compound 1 contains one-half of the complex cation with the CoI I ion located on an inversion center,and one 4-(4-carboxyphenyl)diazenyl)benzoate counter anion. The Co atom has a N2 O4 octahedral coordination. Complex 1 forms a three-dimensional supramolecular network and a semiconducting behavior is observed with srt= 0.04 S·cm-1.
基金Project supported by the National Natural Science Foundation of China （No. 50073019）.
文摘Cobait（Ⅱ） nitrate reacted with 1,10-phenanthroline （phen） and 5-sulfosaiicylic acid （H3ssal） to yield the cobait（Ⅰ） complex [Co（phen）2（H2O）2]（Hssal）o4H2O （1） and the reaction of 1 with copper acetate led to a novel complex [Co（phen）（H2O）4][Cu2（ssal）2（phen）2]·5H2O （2）. These two complexes were cationanion species and the cationic motif [Co（phen）2（H2O）2]^2＋of 1 could be converted to [Co（phen）（H2O）4]^2＋ in the formation process of new anion [Cu2（phen）2（ssal）2]^2- of 2. In both complexes abundant hydrogen bonds construct different supramolecular architectures, thus the conversion reaction can provide a new path to create novel supramolecular network.
文摘The reactions of 4-pyrimidin-5-ylbenzoic acid （HL） with Co（NO3）2·6H2O and Ni（NO3）2·6H2O gave rise to two isomorphous mononuclear coordination complexes, namely, [CoL2（H2O）4] （1） and [NiL2（H2O）4] （2）. Both compounds were characterized by IR spectroscopy and single-crystal X-ray diffraction. X-ray crystallographic analyses reveal that they crystallize in monoclinic, space group P21/n. In the crystal structures of these two complexes, only one nitrogen atom of L coordinates to the metal center, and neither carboxylate group nor another nitrogen atom of L links to Co（Ⅱ） or Ni（Ⅱ）. 2D Layers with significant hydrogen bonds can be observed, and they are further linked by L to form a 3D supramolecular network. Nitrogen atoms are not involved in forming hydrogen bonds, but carboxylic groups of the ligands play an important role in the configuration of this hydrogen-bond layer.
基金This work was supported by the NNSFC (20571075), the NSF for Distinguished Young Scientist of China (20425104) and the NSF of Fujian Province (E0510028)
文摘Two new bimetallic cyano-bridged complexes [Ce（DMSO）4（H2O）3Fe（CN）6]·H2O 1 and [La（DMSO）4（H20）3Co（CN）6].H20 2 have been prepared by the ball milling reaction method and structurally characterized by X-ray single-crystal structure analyses. Crystallographic data for 1： C14H32CeFeN6O8S4, Mr= 736.67, monoclinic, space group P2 1/n, a = 14.952（1）, b = 13.7276（9）, c = 15.392（1） A, β= 108.288（1）°, V = 2999.6（4） A3, Z = 4, Dc= 1.631 g/cm^3, g = 2.304 mm^-1, F（000） = 1480, R = 0.0593 and wR = 0.1611; and those for 2： C14H32CoLaN6O8S4, Mr=738.54, monoclinic, space group P21/n, a = 14.945（3）, b = 13.731（3）, c = 15.300（3） A, β= 107.806（1）°, V= 2989.3（11） A^3, Z= 4, Dc = 1.641 g/cm^3, μ = 2.288 mm^-1, F（000） = 1480, R = 0.0383 and wR = 0.1132. In both complexes the lanthanide ion is eight-coordinated in a square antiprism arrangement, and the Fe（Ⅲ） or Co（Ⅲ） ion in a nearly regular octahedral environment The [LnM（CN）6（DMSO）4（H2O）3]·H2O （Ln = Ce and M = Fe for 1; Ln = La and M = Co for 2） species are held together via hydrogen bonds by coordinated water molecules, lattice water molecules and nitrogen atoms of cyanide groups to form a three-dimensional framework.
