A novel imidazole derivative with functional group and π-conjugated system, 1- [trans-4-(4-diethylaminostyryl)phenyl]imidazole (abbreviated as L), and its Con complex (COCl2L4)2 (Co2C168H184N24Cl4, Mr = 2799....A novel imidazole derivative with functional group and π-conjugated system, 1- [trans-4-(4-diethylaminostyryl)phenyl]imidazole (abbreviated as L), and its Con complex (COCl2L4)2 (Co2C168H184N24Cl4, Mr = 2799.05 ) have been synthesized and the crystal structure of the latter was determined by X-ray diffraction. The crystal is of triclinic, space group PI with a = 8.823(3), b = 18.799(7), c =23.065(9) A, α = 77.349(6), β = 83.128(7), ), γ= 80.942(3)°, V = 3671.5(12) A^3, Z = 1, Dc = 1.266 g/cm^3,/z = 0.361 mm^-1 F(000) = 1482, the final R = 0.0587 and wR = 0.1284 for 6562 observed reflections with I 〉 2σ(I). In the molecular structure of (COCl2L4)2, there are two crystallographically unique units. The Co^Ⅱ atoms are six-coordinated by four N atoms from four imidazole ligands (L) and two Cl atoms to form a distorted octahedral geometry. The optical properties of complex (COCl2L4)2 have been experimentally studied.展开更多
A 1D supramolecular compound [dmbbbi](1) and a 2D cobalt coordination polymer [Co(dmbbbi)(ox)] 2(2) [dmbbbi=1,1-(1,4-butanediyl)bis(5,6-dimethylbenzimidazole),ox=oxalate],C48H52Co2N8O8,were obtained under ...A 1D supramolecular compound [dmbbbi](1) and a 2D cobalt coordination polymer [Co(dmbbbi)(ox)] 2(2) [dmbbbi=1,1-(1,4-butanediyl)bis(5,6-dimethylbenzimidazole),ox=oxalate],C48H52Co2N8O8,were obtained under hydrothermal conditions by tuning the molar ratio of the reactants.The crystal structure analysis reveals that in compound 1,the adjacent dmbbbi molecules connect with each other via hydrogen bonds to form a 1D supramolecular chain.In compound 2,two crystallographically independent Co2+ ions show the same six-coordination mode.Each Co2+ ion is coordinated by four oxygen atoms from two ox anions and two nitrogen atoms from two cis-dmbbbi ligands.The adjacent Co2+ ions are bridged by ox anions to generate an infinite 1D zigzag chain,which is extended by pairs of dmbbbi ligands to form a 2D honeycomb-like(6,3) network.Moreover,the thermal stability and the electrochemical property of compound 2 were studied.展开更多
The design and the synthesis of two conjugated donor acceptor imidazole derivatives(1, 2) were carried out for second order nonlinear optics. The thermal properties, the transparency and second order nonlinear opti...The design and the synthesis of two conjugated donor acceptor imidazole derivatives(1, 2) were carried out for second order nonlinear optics. The thermal properties, the transparency and second order nonlinear optical properties of the molecules were investigated. The experimental results indicate that a good nonlinearity transparency thermal stability trade off is achieved for them.展开更多
A new compound 1-[trans-4-((N-ethylcarbazolyl) vinyl) phenyl]imidazole(C25H22N3,Mr=364.46)has been synthesized,and its crystal structure was determined by single-crystal X-ray diffraction method.The crystal is of mono...A new compound 1-[trans-4-((N-ethylcarbazolyl) vinyl) phenyl]imidazole(C25H22N3,Mr=364.46)has been synthesized,and its crystal structure was determined by single-crystal X-ray diffraction method.The crystal is of monoclinic,space group P21/c with a=9.298(2) A,b=8.648(2) A,c=25.394(7) A,β=110.46(3)°,V=1912.9(8) A3,Z=4,Dc=1.266g/cm3,μ=0.075mm-1,F(000)=772,The structure was refined to R=0.0685 and wR=0.1612 for 3570 unique reflections with Rint=0.0645.The structural determination shows that the molecular structure is a perfectly planar π-conjugated system,and there is a high electronic delocalization in the molecule.The compound shows photoluminescence with a maximum emission at 439nm and a shoulder emission at 458nm upon the maximum-excitation wavelength at 264nm.展开更多
Two new Cu(Ⅰ) complexes [CuCl(3-PyOH)(PPh_3)_2](1) and [Cu_2(μ-Cl)_2(4-Stpy)(Ph_3P)_3](2)(PyOH = hydroxypyridine; stpy = styrylpyridine) with triphenylphosphine and pyridine derivatives have been s...Two new Cu(Ⅰ) complexes [CuCl(3-PyOH)(PPh_3)_2](1) and [Cu_2(μ-Cl)_2(4-Stpy)(Ph_3P)_3](2)(PyOH = hydroxypyridine; stpy = styrylpyridine) with triphenylphosphine and pyridine derivatives have been synthesized and characterized by elemental analysis and X-ray single-crystal diffraction. Compound 1 crystallizes in monoclinic, space group P2_1/c with a = 9.8945(7), b = 37.266(2), c = 10.9461(7) A, β = 116.0750(10)°, V = 3625.3(4) A^3, Z = 4, D_c = 1.350 Mg/cm^(-3), μ = 0.801 mm^(-1), F(000) = 1528, the final R = 0.0320 and w R = 0.0729 for 18568 observed reflections(I 〉 2σ(I)), R(all data) = 0.0413, wR(all data) = 0.0769, completeness to theta of 25.01 is 99.9% and GOF = 1.037. Compound 2 crystallizes in monoclinic, space group P2_1/c with a = 11.290(3), b = 20.388(5), c = 24.092(6) A, β = 102.028(4)°, V = 5424(2) A^3, Z = 4, D_c = 1.428 Mg/cm^(-3), μ = 1.016 mm^(-1), F(000) = 2408, the final R = 0.0568 and w R = 0.1486 for 27644 observed reflections(I 〉 2σ(I)), R(all data) = 0.0716, wR(all data) = 0.1592, completeness to theta of 25.01 is 99.9% and GOF = 1.056. Two new Cu(I) complexes have been utilized as catalysts for N-arylation of imidazole and both showed good catalytic activity.展开更多
基金This work was supported by the National Natural Science Foundation of China (50532030, 50335050, and 50325311) and Education Committee of Anhui Province (2006KJ158B)
文摘A novel imidazole derivative with functional group and π-conjugated system, 1- [trans-4-(4-diethylaminostyryl)phenyl]imidazole (abbreviated as L), and its Con complex (COCl2L4)2 (Co2C168H184N24Cl4, Mr = 2799.05 ) have been synthesized and the crystal structure of the latter was determined by X-ray diffraction. The crystal is of triclinic, space group PI with a = 8.823(3), b = 18.799(7), c =23.065(9) A, α = 77.349(6), β = 83.128(7), ), γ= 80.942(3)°, V = 3671.5(12) A^3, Z = 1, Dc = 1.266 g/cm^3,/z = 0.361 mm^-1 F(000) = 1482, the final R = 0.0587 and wR = 0.1284 for 6562 observed reflections with I 〉 2σ(I). In the molecular structure of (COCl2L4)2, there are two crystallographically unique units. The Co^Ⅱ atoms are six-coordinated by four N atoms from four imidazole ligands (L) and two Cl atoms to form a distorted octahedral geometry. The optical properties of complex (COCl2L4)2 have been experimentally studied.
基金Supported by the National Natural Science Foundation of China(No.21171025)the Natural Science Foundation of Liaoning Province,China(Nos.201102003 and 2009402007)
文摘A 1D supramolecular compound [dmbbbi](1) and a 2D cobalt coordination polymer [Co(dmbbbi)(ox)] 2(2) [dmbbbi=1,1-(1,4-butanediyl)bis(5,6-dimethylbenzimidazole),ox=oxalate],C48H52Co2N8O8,were obtained under hydrothermal conditions by tuning the molar ratio of the reactants.The crystal structure analysis reveals that in compound 1,the adjacent dmbbbi molecules connect with each other via hydrogen bonds to form a 1D supramolecular chain.In compound 2,two crystallographically independent Co2+ ions show the same six-coordination mode.Each Co2+ ion is coordinated by four oxygen atoms from two ox anions and two nitrogen atoms from two cis-dmbbbi ligands.The adjacent Co2+ ions are bridged by ox anions to generate an infinite 1D zigzag chain,which is extended by pairs of dmbbbi ligands to form a 2D honeycomb-like(6,3) network.Moreover,the thermal stability and the electrochemical property of compound 2 were studied.
基金Supported by the Natural Science Foundation of Hubei ProvinceChina(No.2 0 0 0 J15 6 )
文摘The design and the synthesis of two conjugated donor acceptor imidazole derivatives(1, 2) were carried out for second order nonlinear optics. The thermal properties, the transparency and second order nonlinear optical properties of the molecules were investigated. The experimental results indicate that a good nonlinearity transparency thermal stability trade off is achieved for them.
基金supported by a grants for the Education Committee of Anhui Province(KJ2010B126)
文摘A new compound 1-[trans-4-((N-ethylcarbazolyl) vinyl) phenyl]imidazole(C25H22N3,Mr=364.46)has been synthesized,and its crystal structure was determined by single-crystal X-ray diffraction method.The crystal is of monoclinic,space group P21/c with a=9.298(2) A,b=8.648(2) A,c=25.394(7) A,β=110.46(3)°,V=1912.9(8) A3,Z=4,Dc=1.266g/cm3,μ=0.075mm-1,F(000)=772,The structure was refined to R=0.0685 and wR=0.1612 for 3570 unique reflections with Rint=0.0645.The structural determination shows that the molecular structure is a perfectly planar π-conjugated system,and there is a high electronic delocalization in the molecule.The compound shows photoluminescence with a maximum emission at 439nm and a shoulder emission at 458nm upon the maximum-excitation wavelength at 264nm.
基金Supported by the National Natural Science Foundation of China(NSFC 21102102)
文摘Two new Cu(Ⅰ) complexes [CuCl(3-PyOH)(PPh_3)_2](1) and [Cu_2(μ-Cl)_2(4-Stpy)(Ph_3P)_3](2)(PyOH = hydroxypyridine; stpy = styrylpyridine) with triphenylphosphine and pyridine derivatives have been synthesized and characterized by elemental analysis and X-ray single-crystal diffraction. Compound 1 crystallizes in monoclinic, space group P2_1/c with a = 9.8945(7), b = 37.266(2), c = 10.9461(7) A, β = 116.0750(10)°, V = 3625.3(4) A^3, Z = 4, D_c = 1.350 Mg/cm^(-3), μ = 0.801 mm^(-1), F(000) = 1528, the final R = 0.0320 and w R = 0.0729 for 18568 observed reflections(I 〉 2σ(I)), R(all data) = 0.0413, wR(all data) = 0.0769, completeness to theta of 25.01 is 99.9% and GOF = 1.037. Compound 2 crystallizes in monoclinic, space group P2_1/c with a = 11.290(3), b = 20.388(5), c = 24.092(6) A, β = 102.028(4)°, V = 5424(2) A^3, Z = 4, D_c = 1.428 Mg/cm^(-3), μ = 1.016 mm^(-1), F(000) = 2408, the final R = 0.0568 and w R = 0.1486 for 27644 observed reflections(I 〉 2σ(I)), R(all data) = 0.0716, wR(all data) = 0.1592, completeness to theta of 25.01 is 99.9% and GOF = 1.056. Two new Cu(I) complexes have been utilized as catalysts for N-arylation of imidazole and both showed good catalytic activity.