The title compound 1,4-bis(1H-1,2,4-triazol-1-methyl)benzene has been synthesized and its structure was determined by single-crystal X-ray diffraction. Crystal data: C12H12N6, mono- clinic, space group P21/n, a = 4.56...The title compound 1,4-bis(1H-1,2,4-triazol-1-methyl)benzene has been synthesized and its structure was determined by single-crystal X-ray diffraction. Crystal data: C12H12N6, mono- clinic, space group P21/n, a = 4.567(2), b = 13.695(5), c = 9.376(9) ? b = 94.221(7)o, V = 584.8(4) 3, Mr = 240.28, Z = 2, Dc = 1.364 g/cm3, F(000) = 252, m(MoKa) = 0.090 mm-1, the final R = 0.0493 and wR = 0.1051 for 1254 observed reflections (I > 2s(I)). The molecule has a symmetry center which locates at the center of the phenyl ring. The dihedral angle between the planes of triazole and phenyl rings is 77.81(9)o.展开更多
The new copper complex { [Cu（CH3COO）2（bbtz）]（H2O）2 }, 1 （bbtz = 1,4-bis（ 1,2,4- triazol-1-ylmethyl）benzene） was synthesized and the structure was determined by single-crystal X-ray diffraction. Crystal data...The new copper complex { [Cu（CH3COO）2（bbtz）]（H2O）2 }, 1 （bbtz = 1,4-bis（ 1,2,4- triazol-1-ylmethyl）benzene） was synthesized and the structure was determined by single-crystal X-ray diffraction. Crystal data： C16H22CuN6O6, monoclinic, space group P21/n, a = 12.589（5）, b = 6.455（2）, c = 12.677（5） A, β= 98.748（9）°, V= 1018.2（7） A^3, Mr = 457.95, Z = 2, Dc= 1.494 g/cm^3, F（000） = 474, μ = 1.118 mm^-1, R = 0.0463 and wR = 0.0939 for 1971 observed reflections with I 〉 2σ（I）. The crystal structure of 1 is a one-dimensional chain via the bridging flexible ligand bbtz.展开更多
The title compound [Cu（bbtz）（HCOO）2（H2O）2], （bbtz = 1,4-bis（1,2,4-triazol-1- ylmethyl）-benzene） was synthesized by the reaction of Cu（HCOO）2 and bbtz in methanol/H2O solution and its structure was determin...The title compound [Cu（bbtz）（HCOO）2（H2O）2], （bbtz = 1,4-bis（1,2,4-triazol-1- ylmethyl）-benzene） was synthesized by the reaction of Cu（HCOO）2 and bbtz in methanol/H2O solution and its structure was determined by single-crystal X-ray diffraction. Crystal data： C14H18CuN6O6, monoclinic, space group P2 1/c, a = 9.651（2）, b = 10.380（2）, c = 9.368（2） A, β = 112.905（5）°, V = 864.5（3） A^3, Mr = 429.88, Z = 2, Dc = 1.651 g/cm^3, F（000） = 442, μ = 1.311 mm^-1, the final R = 0.0305 and wR = 0.0856 for 1891 observed reflections with I 〉 2σ（I）. X-ray crystal-structure analysis suggests the central copper atom of the title compound is six-coordinated in a distorted octahedral geometry by two nitrogen atoms from two bbtz ligands as well as four oxygen atoms from two H2O and two HCOO^-. The copper atoms are linked by bridging ligand bbtz to form a one-dimensional chain. There are intra- and interchain hydrogen bonding interactions between hydrogen atoms of coordinated water and uncoordinated oxygen atom of HCOO^-.展开更多
In this work, the synthesis and complexation properties of a new compound, 1,3-bis[5-(2-hydroxyphenyl)-4-phenyl- 1,2,4-triazole-3-yl-thio]propane (BTP), towards certain transition metal ions, (M(II) where M = Zn, Cu, ...In this work, the synthesis and complexation properties of a new compound, 1,3-bis[5-(2-hydroxyphenyl)-4-phenyl- 1,2,4-triazole-3-yl-thio]propane (BTP), towards certain transition metal ions, (M(II) where M = Zn, Cu, Ni) in acetonitrile is reported. A hard-modeling strategy was applied to UV-Visible spectroscopy data obtained from monitoring the reaction between BTP and the selected metal ions to determine the concentration profiles of each species and the corresponding stability constant(s) of the complex(es). The stability constants of complexes are always defined in terms of their free metal, free ligand and complexed forms. These constants are influenced by parameters such as the type of metal, ligand, counterion or solvent. In this study, the formation constants of the complexes were determined for the synthesized ligand with several metallic cations in acetonitrile solvent by UV-Vis spectrophotometry.展开更多
A feasible approach to synthesize 1,5-diaryl-4-pyridyl-1,2,3-triaozle via a sequential route from 2-alkynyl pyridine was developed. In this work, KOH was identified as a crucial base to promote the Pd-catalyzed arylat...A feasible approach to synthesize 1,5-diaryl-4-pyridyl-1,2,3-triaozle via a sequential route from 2-alkynyl pyridine was developed. In this work, KOH was identified as a crucial base to promote the Pd-catalyzed arylation step. Compared to the reported methods, this protocol largely improved the reaction efficiency with overall excellent yield and good functional group tolerance.展开更多
This paper is focused on investigation of coordination polymers constructed by Cu(II)and rigid pyridyl ligands,such as 4,4'-bipyridyl-1,2,4-triazole(Hpytz)and 1,10-phenanthroline(phen)from a mononuclear precursor[...This paper is focused on investigation of coordination polymers constructed by Cu(II)and rigid pyridyl ligands,such as 4,4'-bipyridyl-1,2,4-triazole(Hpytz)and 1,10-phenanthroline(phen)from a mononuclear precursor[Cu(DMF)_(4)(NCS)_(2)](1).As expected,the complex was self-assembled with phen to form a 1D double-stranded chain of[Cu(phen)(μ-SCN)_(2)]∞(2),with Hpytz to form 1D zigzag chain of[Cu_(2)(μ-Hpytz)_(2)(NCS)_(2)(DMF)_(2)(μ-SCN)_(2)]∞(3)in which thiocyanate anion linked the Cu-μ-Hpytz-Cu chain into an infinite 2D network via weak Cu…S interaction.To treat 3 with the bridged anion dca,a novel 3D framework[Cu(μ-Hpytz)(μ-dca)(μ-SCN)]∞(4)was obtained in which Cu-μ-Hpytz-Cu chain is preserved and both thiocyanate anion and dicyanamide(dca)act as bridging ligands.In addition,complex 3 was applied as a metal catalyst in polymerization of MMA in aqueous solution at room temperature.展开更多
The title compound,poly[N-[1-（3-pydidyl）ethylidene]-4H-1,2,4-triazol-4-amine sil-ver（I） tetrafluoroborate],[Ag（C9H9N5）（BF4）]n,is the result of complexing Ag cation with N-[1-（3-pydidyl）ethylidene]-4H-1,2,4-t...The title compound,poly[N-[1-（3-pydidyl）ethylidene]-4H-1,2,4-triazol-4-amine sil-ver（I） tetrafluoroborate],[Ag（C9H9N5）（BF4）]n,is the result of complexing Ag cation with N-[1-（3-pydidyl）ethylidene]-4H-1,2,4-triazol-4-amine （L）,and its crystal structure was determined by single-crystal X-ray diffraction.The crystal belongs to the monoclinic system,space group C2/c with a= 18.899（6）,b=9.882（2）,c=15.472（4）,β=120.158（3）°,V=2498.5（11）3,C9H9AgBF4N5,Mr= 381.89,Dc=2.031 g/cm3,μ（MoKα）=1.659 mm-1,F（000）=1488,Z=8,the final R=0.0441 and wR=0.0619 for 1094 observed reflections （I 〉 2σ（I））.In the structure,ligand L bridges the two metal Ag（I） centers in a bidentate fashion and each metal ion coordinates with two nitrogen atoms,forming a one-dimensional rectangular chain.The neighboring chains are connected by two additional Ag-N weak interactions into a 3D framework structure.The title compound shows blue fluorescence property at room temperature.展开更多
1 Introduction The Suzuki cross-coupling reaction is a powerful and versatile method for the generation of unsymmetrical biaryls from arylboronic acids and aryl halides in a single step. However, the reaction is usua...1 Introduction The Suzuki cross-coupling reaction is a powerful and versatile method for the generation of unsymmetrical biaryls from arylboronic acids and aryl halides in a single step. However, the reaction is usually performed in the presence of Pd catalyst along with phosphine ligand, which sometimes creates practical problems because organophosphines tend to be expensive, poisonous, and air sensitive. Recently, phos-phine-free ligands,展开更多
A high dimensional copper coordination polymer {[Cu2（btb）2（H2O）4（ -Mo8O26）] H2O}n（1, btb = 1,4-bis（1,2,4-triazol-1-yl）butane） based on [ -Mo8O26]4 anions and flexible bis（triazole） ligands has been synthes...A high dimensional copper coordination polymer {[Cu2（btb）2（H2O）4（ -Mo8O26）] H2O}n（1, btb = 1,4-bis（1,2,4-triazol-1-yl）butane） based on [ -Mo8O26]4 anions and flexible bis（triazole） ligands has been synthesized and characterized by elemental analysis, IR spectra, single-crystal X-ray diffraction and thermal analysis. The crystallographic data show that complex 1 crystallizes in triclinic space group P with a = 9.7550（10）, b = 10.3996（11）, c = 10.9516（11）, = 77.622（2）, = 89.602（2）, = 87.610（2）, V = 1084.25（19）3, C16H34Cu2Mo8 N12O31, Mr = 1785.15, Dc = 2.734 g cm 3, μ（MoKα） = 3.303 mm 1, F（000） = 856, GOF = 1.060, Z = 1, the final R = 0.0376 and wR = 0.0982 for I 〉 2 （I）. In 1, the inorganic building block [ -Mo8O26]4 anions are connected with each other to generate one-dimensional chains. Then the chains are further connected by Cu2＋ ions to form a three-dimensional （3D） inorganic framework [Cu2（ -Mo8O26）]n containing quadrangular channels, with the pcu alpha-Po primitive cubic topology. The btb ligands are encapsulated into the void of the 3D inorganic framework forming a new three-dimensional architecture. The thermal analysis illustrates that complex 1 retains a comparatively good thermal stability.展开更多
基金The project was supported by the Natural Science Foundation of University of Jiangsu Province (No. 03KJB150118)
文摘The title compound 1,4-bis(1H-1,2,4-triazol-1-methyl)benzene has been synthesized and its structure was determined by single-crystal X-ray diffraction. Crystal data: C12H12N6, mono- clinic, space group P21/n, a = 4.567(2), b = 13.695(5), c = 9.376(9) ? b = 94.221(7)o, V = 584.8(4) 3, Mr = 240.28, Z = 2, Dc = 1.364 g/cm3, F(000) = 252, m(MoKa) = 0.090 mm-1, the final R = 0.0493 and wR = 0.1051 for 1254 observed reflections (I > 2s(I)). The molecule has a symmetry center which locates at the center of the phenyl ring. The dihedral angle between the planes of triazole and phenyl rings is 77.81(9)o.
基金This work was supported by the Natural Science Foundation of Universities of Jiangsu Province (No. 03KJB150118) ② Corresponding author. Fax: +86-512-65224783, E-mail: blli1965@pub.sz.jsinfo.net
文摘The new copper complex { [Cu（CH3COO）2（bbtz）]（H2O）2 }, 1 （bbtz = 1,4-bis（ 1,2,4- triazol-1-ylmethyl）benzene） was synthesized and the structure was determined by single-crystal X-ray diffraction. Crystal data： C16H22CuN6O6, monoclinic, space group P21/n, a = 12.589（5）, b = 6.455（2）, c = 12.677（5） A, β= 98.748（9）°, V= 1018.2（7） A^3, Mr = 457.95, Z = 2, Dc= 1.494 g/cm^3, F（000） = 474, μ = 1.118 mm^-1, R = 0.0463 and wR = 0.0939 for 1971 observed reflections with I 〉 2σ（I）. The crystal structure of 1 is a one-dimensional chain via the bridging flexible ligand bbtz.
基金The project was supported by the Natural Science Foundation of University of Anhui Province (No. 2006KJ156B) and Jiangsu Province (No. 03KJB150118)
文摘The title compound [Cu（bbtz）（HCOO）2（H2O）2], （bbtz = 1,4-bis（1,2,4-triazol-1- ylmethyl）-benzene） was synthesized by the reaction of Cu（HCOO）2 and bbtz in methanol/H2O solution and its structure was determined by single-crystal X-ray diffraction. Crystal data： C14H18CuN6O6, monoclinic, space group P2 1/c, a = 9.651（2）, b = 10.380（2）, c = 9.368（2） A, β = 112.905（5）°, V = 864.5（3） A^3, Mr = 429.88, Z = 2, Dc = 1.651 g/cm^3, F（000） = 442, μ = 1.311 mm^-1, the final R = 0.0305 and wR = 0.0856 for 1891 observed reflections with I 〉 2σ（I）. X-ray crystal-structure analysis suggests the central copper atom of the title compound is six-coordinated in a distorted octahedral geometry by two nitrogen atoms from two bbtz ligands as well as four oxygen atoms from two H2O and two HCOO^-. The copper atoms are linked by bridging ligand bbtz to form a one-dimensional chain. There are intra- and interchain hydrogen bonding interactions between hydrogen atoms of coordinated water and uncoordinated oxygen atom of HCOO^-.
文摘In this work, the synthesis and complexation properties of a new compound, 1,3-bis[5-(2-hydroxyphenyl)-4-phenyl- 1,2,4-triazole-3-yl-thio]propane (BTP), towards certain transition metal ions, (M(II) where M = Zn, Cu, Ni) in acetonitrile is reported. A hard-modeling strategy was applied to UV-Visible spectroscopy data obtained from monitoring the reaction between BTP and the selected metal ions to determine the concentration profiles of each species and the corresponding stability constant(s) of the complex(es). The stability constants of complexes are always defined in terms of their free metal, free ligand and complexed forms. These constants are influenced by parameters such as the type of metal, ligand, counterion or solvent. In this study, the formation constants of the complexes were determined for the synthesized ligand with several metallic cations in acetonitrile solvent by UV-Vis spectrophotometry.
文摘A feasible approach to synthesize 1,5-diaryl-4-pyridyl-1,2,3-triaozle via a sequential route from 2-alkynyl pyridine was developed. In this work, KOH was identified as a crucial base to promote the Pd-catalyzed arylation step. Compared to the reported methods, this protocol largely improved the reaction efficiency with overall excellent yield and good functional group tolerance.
基金The authors appreciate financial support from Chinese Natural Science Foundation(21371128 and 21336005)the Major Project of Environmental Protection in Jiangsu Province(2013020).
文摘This paper is focused on investigation of coordination polymers constructed by Cu(II)and rigid pyridyl ligands,such as 4,4'-bipyridyl-1,2,4-triazole(Hpytz)and 1,10-phenanthroline(phen)from a mononuclear precursor[Cu(DMF)_(4)(NCS)_(2)](1).As expected,the complex was self-assembled with phen to form a 1D double-stranded chain of[Cu(phen)(μ-SCN)_(2)]∞(2),with Hpytz to form 1D zigzag chain of[Cu_(2)(μ-Hpytz)_(2)(NCS)_(2)(DMF)_(2)(μ-SCN)_(2)]∞(3)in which thiocyanate anion linked the Cu-μ-Hpytz-Cu chain into an infinite 2D network via weak Cu…S interaction.To treat 3 with the bridged anion dca,a novel 3D framework[Cu(μ-Hpytz)(μ-dca)(μ-SCN)]∞(4)was obtained in which Cu-μ-Hpytz-Cu chain is preserved and both thiocyanate anion and dicyanamide(dca)act as bridging ligands.In addition,complex 3 was applied as a metal catalyst in polymerization of MMA in aqueous solution at room temperature.
基金supported by the Innovation Program for College Students of Central South University (No. 081053308)Central South University Science Development Foundation (No. 09SDF06)
文摘The title compound,poly[N-[1-（3-pydidyl）ethylidene]-4H-1,2,4-triazol-4-amine sil-ver（I） tetrafluoroborate],[Ag（C9H9N5）（BF4）]n,is the result of complexing Ag cation with N-[1-（3-pydidyl）ethylidene]-4H-1,2,4-triazol-4-amine （L）,and its crystal structure was determined by single-crystal X-ray diffraction.The crystal belongs to the monoclinic system,space group C2/c with a= 18.899（6）,b=9.882（2）,c=15.472（4）,β=120.158（3）°,V=2498.5（11）3,C9H9AgBF4N5,Mr= 381.89,Dc=2.031 g/cm3,μ（MoKα）=1.659 mm-1,F（000）=1488,Z=8,the final R=0.0441 and wR=0.0619 for 1094 observed reflections （I 〉 2σ（I））.In the structure,ligand L bridges the two metal Ag（I） centers in a bidentate fashion and each metal ion coordinates with two nitrogen atoms,forming a one-dimensional rectangular chain.The neighboring chains are connected by two additional Ag-N weak interactions into a 3D framework structure.The title compound shows blue fluorescence property at room temperature.
基金Supported by the Zhejiang Province Natural Science Foundation,China(No.Y407240)
文摘1 Introduction The Suzuki cross-coupling reaction is a powerful and versatile method for the generation of unsymmetrical biaryls from arylboronic acids and aryl halides in a single step. However, the reaction is usually performed in the presence of Pd catalyst along with phosphine ligand, which sometimes creates practical problems because organophosphines tend to be expensive, poisonous, and air sensitive. Recently, phos-phine-free ligands,
基金the National Natural Science Foundation of China (21171179)Natural Science Foundation of He’ nan Province (112300410291)+1 种基金He’ nan Educational Committee (2011B140025, 12A150028, 12A140017)Ph. D. Programs Foundation of Zhoukou Normal University
文摘A high dimensional copper coordination polymer {[Cu2（btb）2（H2O）4（ -Mo8O26）] H2O}n（1, btb = 1,4-bis（1,2,4-triazol-1-yl）butane） based on [ -Mo8O26]4 anions and flexible bis（triazole） ligands has been synthesized and characterized by elemental analysis, IR spectra, single-crystal X-ray diffraction and thermal analysis. The crystallographic data show that complex 1 crystallizes in triclinic space group P with a = 9.7550（10）, b = 10.3996（11）, c = 10.9516（11）, = 77.622（2）, = 89.602（2）, = 87.610（2）, V = 1084.25（19）3, C16H34Cu2Mo8 N12O31, Mr = 1785.15, Dc = 2.734 g cm 3, μ（MoKα） = 3.303 mm 1, F（000） = 856, GOF = 1.060, Z = 1, the final R = 0.0376 and wR = 0.0982 for I 〉 2 （I）. In 1, the inorganic building block [ -Mo8O26]4 anions are connected with each other to generate one-dimensional chains. Then the chains are further connected by Cu2＋ ions to form a three-dimensional （3D） inorganic framework [Cu2（ -Mo8O26）]n containing quadrangular channels, with the pcu alpha-Po primitive cubic topology. The btb ligands are encapsulated into the void of the 3D inorganic framework forming a new three-dimensional architecture. The thermal analysis illustrates that complex 1 retains a comparatively good thermal stability.
