A novel blue luminescent mercury （ Ⅱ ） complex of 2,6-bis （benzimidazolyl） pyridine （L） was synthesized. In solid state, this complex has the formula [Hg（L）Cl2] · 2DMF（1）. The molecular structures of b...A novel blue luminescent mercury （ Ⅱ ） complex of 2,6-bis （benzimidazolyl） pyridine （L） was synthesized. In solid state, this complex has the formula [Hg（L）Cl2] · 2DMF（1）. The molecular structures of both the ligand and the complex were determined by using tingle-crystal X-ray diffraction. Crystallographic studies of the mercury （ Ⅱ） complex reveal that the complex possesses a five-coordinated geometry that can be best described as a distorted trigonal-bipyramidal. The luminescent properties of ligand L and complex 1 both in solution and in solid state were also studied.展开更多
The reaction of Zn（ClO4）2·6H2O with 3,3＇-bis（2-benzimidazolyl）-2,2＇-dipyridine （L） gave a mononuclear zinc（Ⅱ） complex： [ZnL2]（CIO4）2·2DMF·4H2O, which was structurally characterized by EA, ...The reaction of Zn（ClO4）2·6H2O with 3,3＇-bis（2-benzimidazolyl）-2,2＇-dipyridine （L） gave a mononuclear zinc（Ⅱ） complex： [ZnL2]（CIO4）2·2DMF·4H2O, which was structurally characterized by EA, IR, UV, ^1H NMR, fluorescence spectrum and single-crystal X-ray diffraction. The crystal （C54H54Cl2N14O14Zn, Mr = 1259.38） belongs to the monoclinic system, space group C2/c with a = 20.874（2）, b = 14.9953（16）, c = 20.462（3）A,β= 101.553（2）°, V= 6274.8（13） A, Z= 4, Dc= 1.333 g/cm^3, F （000） = 2608,/a（MoKcr） = 0.548 mm 1, R = 0.0682 and wR = 0.1931 for 4984 observed reflections with I 〉 2σ（I）. The Zn（Ⅱ） is four-coordinated in a slightly distorted tetrahedral geometry through four N atoms from four benzimidazole units of two ligands. In the crystal lattice, the [ZnL2]2^＋ cations are linked to each other by extensive intermolecular hydrogen bonds between nitrogen atoms of benzimidazole rings, water and DMF molecules.展开更多
The title compound C6H4(C7H5N2)2 was prepared by the condensation of o-phenyl- enediamine with o-phthalic acid and characterized by elemental analysis, IR, UV and H NMR 1 spectra, and its stru...The title compound C6H4(C7H5N2)2 was prepared by the condensation of o-phenyl- enediamine with o-phthalic acid and characterized by elemental analysis, IR, UV and H NMR 1 spectra, and its structure was determined by single-crystal X-ray diffraction. The crystal belongs to orthorhombic system, space group Pbcn with a = 17.928(8), b = 8.828(4), c = 9.752(4)?, Z = 4, V = 1543.4(12) ?3, Dc = 1.336 g/cm3, Mr = 310.35, λ(MoKα) = 0.71073 ?, μ = 0.082 mm-1, F(000) = 648, R = 0.0405 and wR = 0.1092. A total of 1693 unique reflections were collected, of which 1319 with I > 2σ(I) were observed. It is shown that the compound molecule belongs to C2 point group. A one-dimensional chain structure was formed by the intermolecular hydrogen bonds (N(2)–H… N(1)).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
N,N,N',N'-tetra[(2-benzimidazolyl)methyl]-1,2-ethanediamine (EDTB) lanthanide chloride complexes were prepared (Ln3+=Eu3+, Tb3+ or Gd3+). The results of single crystal X-ray structural analysis show that [(ED...N,N,N',N'-tetra[(2-benzimidazolyl)methyl]-1,2-ethanediamine (EDTB) lanthanide chloride complexes were prepared (Ln3+=Eu3+, Tb3+ or Gd3+). The results of single crystal X-ray structural analysis show that [(EDTB)GdCl2]Cl(C2H5OH)(H2O)2 crystal is in space group P21 / c with a=8.848(2) ?, b=26.313(5) ?, c=18.929(4) ?, β=97.82(3)o, V=4366(2) ?3, Z=4. The luminescent properties of the terbium and europium complexes have been studied.展开更多
The catalytic system of[2-(2-benzimidazolyl)-6-((1-aryliminoethyl)pyridyl)]nickel chloride/MAO(methylalu- minoxane)was found to be good active for vinyl polymerization of norbornene and provided polymers with relative...The catalytic system of[2-(2-benzimidazolyl)-6-((1-aryliminoethyl)pyridyl)]nickel chloride/MAO(methylalu- minoxane)was found to be good active for vinyl polymerization of norbornene and provided polymers with relative narrow molecular distributions.Various reaction parameters,such as the ratios of nickel precursor to MAO or monomer norbornene, and the nature of the ligands in complexes were carefully investigated to realize their effects on the catalytic activities, polymer molecular weight and molecular we...展开更多
The crystal structures of fluoride and chloride complexes of tris[（2-benzimidazolyl）methyl]amine 1 were characterized by X-ray crystallography. 1 adopts （73 symmetrical geometry and cone-like conformation so as to ...The crystal structures of fluoride and chloride complexes of tris[（2-benzimidazolyl）methyl]amine 1 were characterized by X-ray crystallography. 1 adopts （73 symmetrical geometry and cone-like conformation so as to allow its three NHs to associate with the anions through hydrogen bonds. Despite the different sizes of the anions, the two crystals are unexpectedly isostructural. The binding ability of the anions of 1 in solution was also studied by using of UV-vis spectroscopy.展开更多
The crystal structure of [CoCl(C_7H_5N_2CH_2COPh)_4]Br has been determined by means of X-ray crystallography. The molecular structure consists of a discrete [CoCl(C_7H_5N_2CH_2COPh)_4]+ cation and one Br- anion. In th...The crystal structure of [CoCl(C_7H_5N_2CH_2COPh)_4]Br has been determined by means of X-ray crystallography. The molecular structure consists of a discrete [CoCl(C_7H_5N_2CH_2COPh)_4]+ cation and one Br- anion. In the [CoCl(C_7H_5N_2CH_2COPh)_4]+ cation, the coordination geometry of the central Co atom is square-pyramidal with four tertiary N atoms of benzimidazole from four α-(benzimidazol-1-yl)-hypnone ligands in the basal position and one chloride anion in the apical position. In the solid state, [CoCl(C_7H_5N_2CH_2COPh)_4]+ and Br- anion possess intermolecular and intramolecular interactions, which stabilize the crystal structure. The characterization of the title compound were also carried out by using elemeutal analysis, FTIR, UV spectrometries and TG-DSC.展开更多
In this work, we have focused our investigations on the protonation sites predilection in the benzimidazolyl- chalcones (BZC) derivatives. Particularly, we are interested in the study of geometrical and energetical pa...In this work, we have focused our investigations on the protonation sites predilection in the benzimidazolyl- chalcones (BZC) derivatives. Particularly, we are interested in the study of geometrical and energetical parameters. BZC are well known for their particularly nematicidal activity. Ten (10) BZC derivatives coded BZC-1 to BZC-10, with various larvicidal concentrations, have been selected for this work. They all are different one from another by the phenyl ring which is substituted by electron modulators such as alkyl, hydroxyl, alkoxy, aminoalkyl, halogen and nitro or replaced by the furan. Quantum chemical methods, namely HF/6-311 + G(d,p) and MPW1PW91/6- 311 + G(d,p) theory levels have been used to determine the geometrical and energetical parameters by the protonation on each heteroatom of the BZC derivative. An accuracy results with relatively less time consuming has been obtained using Hartree-Fock (HF) and Density Functional Theory methods (DFT/MPW1PW91). The calculations results allow identifying the sp<sup>2</sup> nitrogen as the preferential site of protonation in BZC derivative compounds.展开更多
Bis(2-benzimidazolyl)propane was synthesized by the reaction of o-phenylenediamine and glutaric acid which was accelerated by microwave irradiation and catalyzed by poly phosphoric acid(PPA) under solvent-free conditi...Bis(2-benzimidazolyl)propane was synthesized by the reaction of o-phenylenediamine and glutaric acid which was accelerated by microwave irradiation and catalyzed by poly phosphoric acid(PPA) under solvent-free condition. By the method of orthogonal experiment optimize synthesis factors which affect the reation: o-Phenylent Diamine: glutaric acid:2.2∶1.0(mol:mol),PPA:9.0g,time of microwave irradiation:8min, and the power of microwave irradiation:160W. Under the optimal condition, the highest yield of Bis(2-benzimidazolyl) propane is 77.4%. The products were characterized by melting point determination, IR spectrogram,1HNMR spectra and 13CNMR spectra.展开更多
4-dimethylpyridine（DMAP） was used as catalyst for preparing benzimidazolyl phenoxyacetic acid O-acetyllactopyranosyl saccharide carboxylate and triethylamine（Et3N） was used as deacid reagent.Three saccharide carbo...4-dimethylpyridine（DMAP） was used as catalyst for preparing benzimidazolyl phenoxyacetic acid O-acetyllactopyranosyl saccharide carboxylate and triethylamine（Et3N） was used as deacid reagent.Three saccharide carboxylates were synthesized from saccharide carboxylation at room temperature in the system of DMAP/Et3N with nitro-containing,trifluoromethyl benzimidazolyl phenoxyacetic acid with as lead compounds.The catalytic mechanism of DMAP/Et3N was discussed.The results showed that DMAP is a effective catalyst.The yields can reach over 52.7%.The test indicated that the compounds showed better antiviral activity against tobacco mosaie virus（TMV）.展开更多
基金the National Natural Science Foundation of China(No20374023)Ministry of Science and Technology of China(No2002CB6134003)
文摘A novel blue luminescent mercury （ Ⅱ ） complex of 2,6-bis （benzimidazolyl） pyridine （L） was synthesized. In solid state, this complex has the formula [Hg（L）Cl2] · 2DMF（1）. The molecular structures of both the ligand and the complex were determined by using tingle-crystal X-ray diffraction. Crystallographic studies of the mercury （ Ⅱ） complex reveal that the complex possesses a five-coordinated geometry that can be best described as a distorted trigonal-bipyramidal. The luminescent properties of ligand L and complex 1 both in solution and in solid state were also studied.
基金Supported by the National Natural Science Foundation of China (No. 20471054) the Henan Innovation Project for University Prominent Research Talents (No. 2005 KYCX021)
文摘The reaction of Zn（ClO4）2·6H2O with 3,3＇-bis（2-benzimidazolyl）-2,2＇-dipyridine （L） gave a mononuclear zinc（Ⅱ） complex： [ZnL2]（CIO4）2·2DMF·4H2O, which was structurally characterized by EA, IR, UV, ^1H NMR, fluorescence spectrum and single-crystal X-ray diffraction. The crystal （C54H54Cl2N14O14Zn, Mr = 1259.38） belongs to the monoclinic system, space group C2/c with a = 20.874（2）, b = 14.9953（16）, c = 20.462（3）A,β= 101.553（2）°, V= 6274.8（13） A, Z= 4, Dc= 1.333 g/cm^3, F （000） = 2608,/a（MoKcr） = 0.548 mm 1, R = 0.0682 and wR = 0.1931 for 4984 observed reflections with I 〉 2σ（I）. The Zn（Ⅱ） is four-coordinated in a slightly distorted tetrahedral geometry through four N atoms from four benzimidazole units of two ligands. In the crystal lattice, the [ZnL2]2^＋ cations are linked to each other by extensive intermolecular hydrogen bonds between nitrogen atoms of benzimidazole rings, water and DMF molecules.
文摘The title compound C6H4(C7H5N2)2 was prepared by the condensation of o-phenyl- enediamine with o-phthalic acid and characterized by elemental analysis, IR, UV and H NMR 1 spectra, and its structure was determined by single-crystal X-ray diffraction. The crystal belongs to orthorhombic system, space group Pbcn with a = 17.928(8), b = 8.828(4), c = 9.752(4)?, Z = 4, V = 1543.4(12) ?3, Dc = 1.336 g/cm3, Mr = 310.35, λ(MoKα) = 0.71073 ?, μ = 0.082 mm-1, F(000) = 648, R = 0.0405 and wR = 0.1092. A total of 1693 unique reflections were collected, of which 1319 with I > 2σ(I) were observed. It is shown that the compound molecule belongs to C2 point group. A one-dimensional chain structure was formed by the intermolecular hydrogen bonds (N(2)–H… N(1)).
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 State Key Program of Basic Research(G1998061310)the National Natural Science Foundation of China(59872001)+1 种基金Doctoral Program Foundation of High Education(99000132)Visiting Scholar Foundation of Key Lab.In the University.
文摘N,N,N',N'-tetra[(2-benzimidazolyl)methyl]-1,2-ethanediamine (EDTB) lanthanide chloride complexes were prepared (Ln3+=Eu3+, Tb3+ or Gd3+). The results of single crystal X-ray structural analysis show that [(EDTB)GdCl2]Cl(C2H5OH)(H2O)2 crystal is in space group P21 / c with a=8.848(2) ?, b=26.313(5) ?, c=18.929(4) ?, β=97.82(3)o, V=4366(2) ?3, Z=4. The luminescent properties of the terbium and europium complexes have been studied.
文摘The catalytic system of[2-(2-benzimidazolyl)-6-((1-aryliminoethyl)pyridyl)]nickel chloride/MAO(methylalu- minoxane)was found to be good active for vinyl polymerization of norbornene and provided polymers with relative narrow molecular distributions.Various reaction parameters,such as the ratios of nickel precursor to MAO or monomer norbornene, and the nature of the ligands in complexes were carefully investigated to realize their effects on the catalytic activities, polymer molecular weight and molecular we...
基金the National Natural Science Foundation of China (No. 20702038)the University Science Foundation of Tianjin Education Committee (20050609)Tianjin Normal University
文摘The crystal structures of fluoride and chloride complexes of tris[（2-benzimidazolyl）methyl]amine 1 were characterized by X-ray crystallography. 1 adopts （73 symmetrical geometry and cone-like conformation so as to allow its three NHs to associate with the anions through hydrogen bonds. Despite the different sizes of the anions, the two crystals are unexpectedly isostructural. The binding ability of the anions of 1 in solution was also studied by using of UV-vis spectroscopy.
文摘The crystal structure of [CoCl(C_7H_5N_2CH_2COPh)_4]Br has been determined by means of X-ray crystallography. The molecular structure consists of a discrete [CoCl(C_7H_5N_2CH_2COPh)_4]+ cation and one Br- anion. In the [CoCl(C_7H_5N_2CH_2COPh)_4]+ cation, the coordination geometry of the central Co atom is square-pyramidal with four tertiary N atoms of benzimidazole from four α-(benzimidazol-1-yl)-hypnone ligands in the basal position and one chloride anion in the apical position. In the solid state, [CoCl(C_7H_5N_2CH_2COPh)_4]+ and Br- anion possess intermolecular and intramolecular interactions, which stabilize the crystal structure. The characterization of the title compound were also carried out by using elemeutal analysis, FTIR, UV spectrometries and TG-DSC.
文摘In this work, we have focused our investigations on the protonation sites predilection in the benzimidazolyl- chalcones (BZC) derivatives. Particularly, we are interested in the study of geometrical and energetical parameters. BZC are well known for their particularly nematicidal activity. Ten (10) BZC derivatives coded BZC-1 to BZC-10, with various larvicidal concentrations, have been selected for this work. They all are different one from another by the phenyl ring which is substituted by electron modulators such as alkyl, hydroxyl, alkoxy, aminoalkyl, halogen and nitro or replaced by the furan. Quantum chemical methods, namely HF/6-311 + G(d,p) and MPW1PW91/6- 311 + G(d,p) theory levels have been used to determine the geometrical and energetical parameters by the protonation on each heteroatom of the BZC derivative. An accuracy results with relatively less time consuming has been obtained using Hartree-Fock (HF) and Density Functional Theory methods (DFT/MPW1PW91). The calculations results allow identifying the sp<sup>2</sup> nitrogen as the preferential site of protonation in BZC derivative compounds.
文摘Bis(2-benzimidazolyl)propane was synthesized by the reaction of o-phenylenediamine and glutaric acid which was accelerated by microwave irradiation and catalyzed by poly phosphoric acid(PPA) under solvent-free condition. By the method of orthogonal experiment optimize synthesis factors which affect the reation: o-Phenylent Diamine: glutaric acid:2.2∶1.0(mol:mol),PPA:9.0g,time of microwave irradiation:8min, and the power of microwave irradiation:160W. Under the optimal condition, the highest yield of Bis(2-benzimidazolyl) propane is 77.4%. The products were characterized by melting point determination, IR spectrogram,1HNMR spectra and 13CNMR spectra.
文摘4-dimethylpyridine（DMAP） was used as catalyst for preparing benzimidazolyl phenoxyacetic acid O-acetyllactopyranosyl saccharide carboxylate and triethylamine（Et3N） was used as deacid reagent.Three saccharide carboxylates were synthesized from saccharide carboxylation at room temperature in the system of DMAP/Et3N with nitro-containing,trifluoromethyl benzimidazolyl phenoxyacetic acid with as lead compounds.The catalytic mechanism of DMAP/Et3N was discussed.The results showed that DMAP is a effective catalyst.The yields can reach over 52.7%.The test indicated that the compounds showed better antiviral activity against tobacco mosaie virus（TMV）.
