A new polyoxometalate comPOund formulated as Na2（C3H5N2）4[MnMo9O32]·2H2O 1 has been hydrothermally synthesized and structurally characterized by elemental analysis, IR spectrum and single-crystal X-ray diffract...A new polyoxometalate comPOund formulated as Na2（C3H5N2）4[MnMo9O32]·2H2O 1 has been hydrothermally synthesized and structurally characterized by elemental analysis, IR spectrum and single-crystal X-ray diffraction. The title compound crystallizes in the monoclinic system, space group C2/c, with a = 16.076（2）, b = 14.6488（19）, c = 18.767（2）A ,β = 108.6030（10）°, V = 4188.6（9）A^3, C12H24MnMo9NsNa2O34, Mr = 1788.77, Dc = 2.837 g/cm^3,μ（MoKa） = 3.024 mm^-1, F（000） = 3396, Z = 4, the final R = 0.0270 and wR = 0.0605 for 3829 observed reflections （I 〉 2σ（I））.展开更多
The reaction of VO（acac）2 with 2-hydroxyl-1-naphthaldehyde isonicotinyl hydrazone and amines （ethylenediamine or diethylenetriamine） in CH3OH yields crystals of novel vanadium compounds characterized by IR, NMR sp...The reaction of VO（acac）2 with 2-hydroxyl-1-naphthaldehyde isonicotinyl hydrazone and amines （ethylenediamine or diethylenetriamine） in CH3OH yields crystals of novel vanadium compounds characterized by IR, NMR spectroscopic methods and X-ray single-crystal structure determination. Two different vanadium units exist in the crystal cell of [VO2（C17H11N3O2）][VO- （C4H13N3）（C6H5N3O）]（C2H5OH） which crystallizes in the triclinic system, space group P1 with a = 8.0104（17）, b = 13.898（3）, c = 14.955（3）A, α = 89.103（4）, β = 79.551（4）, γ = 78.352（4）°, V = 1603.3（6）A^3, Mr = 723.54, Dc = 1.499 g/cm^3, Z = 2, λ（MoKα） = 0.71073 ]A,μ= 0.644 mm^-1, F（000） = 748, the final R = 0.0547 and wR = 0.0997 for 8920 observed reflections with I 〉 2σ（I）. According to structure analysis, two different molecules are arranged in the lattice and the two vanadium atoms adopt octahedral and square pyramidal coordination geometries, respectively. The interactions between DNA and vanadium complexes have been investigated by UV-Vis absorption spectro- photometry.展开更多
The title compound, [Cu2（CH3COO）4（C8H10N2）]n·nCH3CN 1 （C8H10N2, 4,4＇-bipy = 4,4＇-bipyridine）, has been solvothermally synthesized in CH3CN and characterized by X-ray diffraction. The crystal is of monocli...The title compound, [Cu2（CH3COO）4（C8H10N2）]n·nCH3CN 1 （C8H10N2, 4,4＇-bipy = 4,4＇-bipyridine）, has been solvothermally synthesized in CH3CN and characterized by X-ray diffraction. The crystal is of monoclinic, space group Cc with α = 22.626（6）, b = 14.012（4）, c = 15.106（4） ]A, β = 107.610（3）°, V = 4565（2） ]A^3, C20H23Cu2N3O8, Mr = 560.49, Z = 8, Dc = 1.631 g/cm^3,μ = 1.914 mm^-1, Flack parameter = 0.48（1）, F（000） = 2288, R = 0.042 and wR = 0.098 for 8887 observed reflections （I 〉 20（I））. It consists of nearly linear one-dimensional chains [Cu2（CH3COO）4（C8H10N2）]n derived from paddle-wheel [Cu2（CH3COO）4] unit linked by 4,4＇-bipy, and CH3CN as guest molecule regularly decorates between the chains.展开更多
Ultra-high strength and modulus polyethylene fibers can be produced from UHMW-PE(ul-tra-high molecular weight polyethylene) by gel spinning and ultra-high drawing method.The spe-cial supermolecular structure of″shish...Ultra-high strength and modulus polyethylene fibers can be produced from UHMW-PE(ul-tra-high molecular weight polyethylene) by gel spinning and ultra-high drawing method.The spe-cial supermolecular structure of″shish-kebabs″ is the intrinsic course for the fiber having highperformance.In this paper,the formation mechanism of the characteristic structure of PE fibershas been investigated by means of SEM,DSC,WAXD,SAXS and TEM,The experimental resultsshow that the extended-chain structure of PE fibers is formed originally from the bridged mole-cules in amorphous region and increased gradually during further drawing porcess.The″shish-kebab″ structure is formed by the combination of extended-chalnS and originalfolded-chains.展开更多
High energy proton is an important type of the space radiation. The paper investigates the radiatione ffect of high energy proton (27.9 MeV) on DNA aqueous solution in the field of the molecular mechanism. The followi...High energy proton is an important type of the space radiation. The paper investigates the radiatione ffect of high energy proton (27.9 MeV) on DNA aqueous solution in the field of the molecular mechanism. The following information about the microcosmic damage to the space structure of DNA was obtained: (ⅰ) breakage of a part of interbase hydrogen bonds which maintained double helical structure of DNA; (ⅱ) damage on four bases, in which the damage on adenine ring was the most serious; (ⅲ) obvious change of deoxyribose; (ⅳ) serious damage on backbone phosphate ion (PO_2^-) and phosphate diester (PO_2) and the occurrence of scissions of double-stranded and single-stranded DNAs; (ⅴ) obvious decrease in the amount of B-form conformation.展开更多
The influence of the thermomagnetic treatment on metallurgical and mechanical properties of the rolling bearing steel was investigated. The heating and/or cooling and tempering processes of the samples occurred in a m...The influence of the thermomagnetic treatment on metallurgical and mechanical properties of the rolling bearing steel was investigated. The heating and/or cooling and tempering processes of the samples occurred in a magnetic field having certain strengths. The X-ray diffraction （XRD） patterns of the rolling bearing （RUL 1） steel samples exhibited a beneficial effect of the magnetic field on the structure, phase transformation, and tension state. An increased fatigue reliability was found for the rolling tribomodel made from thermomagnetically treated steel.展开更多
The ordered structures of oxygens and vacancies on the basal plane in YBa_2Cu_3O_(7-x) are investigated. The density wave theory of atomic configuration is extended to the crystal lattices composed of several interpen...The ordered structures of oxygens and vacancies on the basal plane in YBa_2Cu_3O_(7-x) are investigated. The density wave theory of atomic configuration is extended to the crystal lattices composed of several interpenetrating Bravais sublattices, with the secondary ordering emphatically considered. Four kinds of Standard composition structures have been obtained, which correspond to x=0, 0.25, 0.5 and 0.75. respectively. Comparisons with experimental results are made.展开更多
By means of one-atom state method, the electronic structure of Ni metal has been determined to be [Ar] (3d_n)^(2.69)(3d_m)^(0.66)(3d_c)^(5.24)(4s_c)^(0.25)(4s_f)^(1.16), by which the potential curve, lattice constant,...By means of one-atom state method, the electronic structure of Ni metal has been determined to be [Ar] (3d_n)^(2.69)(3d_m)^(0.66)(3d_c)^(5.24)(4s_c)^(0.25)(4s_f)^(1.16), by which the potential curve, lattice constant, cohesive energy, verious elastic moduli and the temperature dependences of linear thermal expansion coefficient and specific heat have been calculated. The theoretical values of these properties are in good agreement with experiments, showing the basic completeness of the systematic analysis of Ni metal along electronic structurecrystal structure-physical properties.展开更多
<正> Ⅰ. INTRODUCTION The transition metal carbene compound with olefin ligand is an important intermediate in the metathesis of olefin, cyclopropanation of alkenes and Ziegler-Natta Polymerization of olefin. Th...<正> Ⅰ. INTRODUCTION The transition metal carbene compound with olefin ligand is an important intermediate in the metathesis of olefin, cyclopropanation of alkenes and Ziegler-Natta Polymerization of olefin. The synthesis and structure of the展开更多
In 1969, Soviet mineralogists first reported wolframoixiolite, but failed to produce further data on it because of poor crystalline. We have carried out detailed single-crystal research on it and ascertained its struc...In 1969, Soviet mineralogists first reported wolframoixiolite, but failed to produce further data on it because of poor crystalline. We have carried out detailed single-crystal research on it and ascertained its structure. The composition of the wolframoixiolite occurring in the Soviet Union and Hunan, China is specified in展开更多
We have systematically studied redox properties of two series of several dozen heteropoly acids (salts) and their derivatives with vanadium and rare-earth elements with Keggin and Dawson structures, e. g. LnHSiMo_(12)...We have systematically studied redox properties of two series of several dozen heteropoly acids (salts) and their derivatives with vanadium and rare-earth elements with Keggin and Dawson structures, e. g. LnHSiMo_(12), SiMo_(12-n)V_n, M_(1.5)PMo_(12), PMo_(12-n)V_n, PW_(12-n_V_n, Ln(PMo_(11))_2, Sm(XMo_(11))_2 and P_2Mo_(18-n)V_n, etc., and obtained their sequence of oxidation. It was found that there is a linear relationship between the reduction potentials of heteropoly anions and the derivatives of heteropoly anions with rare-earth elements with Keggin structure and nq^2 (n and q are the principal quantum number and charge of the central ion respectively). On the basis of the electrostatic model the regularity of oxidation and reduction was rationalized.展开更多
基金the Natural Science Foundation of Jilin Province(No.2005103)
文摘A new polyoxometalate comPOund formulated as Na2（C3H5N2）4[MnMo9O32]·2H2O 1 has been hydrothermally synthesized and structurally characterized by elemental analysis, IR spectrum and single-crystal X-ray diffraction. The title compound crystallizes in the monoclinic system, space group C2/c, with a = 16.076（2）, b = 14.6488（19）, c = 18.767（2）A ,β = 108.6030（10）°, V = 4188.6（9）A^3, C12H24MnMo9NsNa2O34, Mr = 1788.77, Dc = 2.837 g/cm^3,μ（MoKa） = 3.024 mm^-1, F（000） = 3396, Z = 4, the final R = 0.0270 and wR = 0.0605 for 3829 observed reflections （I 〉 2σ（I））.
基金the Scientific Research Common Program of Beijing Municipal Commission of Education, PRC (KM200510028005)
文摘The reaction of VO（acac）2 with 2-hydroxyl-1-naphthaldehyde isonicotinyl hydrazone and amines （ethylenediamine or diethylenetriamine） in CH3OH yields crystals of novel vanadium compounds characterized by IR, NMR spectroscopic methods and X-ray single-crystal structure determination. Two different vanadium units exist in the crystal cell of [VO2（C17H11N3O2）][VO- （C4H13N3）（C6H5N3O）]（C2H5OH） which crystallizes in the triclinic system, space group P1 with a = 8.0104（17）, b = 13.898（3）, c = 14.955（3）A, α = 89.103（4）, β = 79.551（4）, γ = 78.352（4）°, V = 1603.3（6）A^3, Mr = 723.54, Dc = 1.499 g/cm^3, Z = 2, λ（MoKα） = 0.71073 ]A,μ= 0.644 mm^-1, F（000） = 748, the final R = 0.0547 and wR = 0.0997 for 8920 observed reflections with I 〉 2σ（I）. According to structure analysis, two different molecules are arranged in the lattice and the two vanadium atoms adopt octahedral and square pyramidal coordination geometries, respectively. The interactions between DNA and vanadium complexes have been investigated by UV-Vis absorption spectro- photometry.
基金The work was supported by the Zhejiang Key Laboratory for Reactive Chemistry on Solid Surfaces (No. 0506) and the University of Malaya (F0712/2005c)
文摘The title compound, [Cu2（CH3COO）4（C8H10N2）]n·nCH3CN 1 （C8H10N2, 4,4＇-bipy = 4,4＇-bipyridine）, has been solvothermally synthesized in CH3CN and characterized by X-ray diffraction. The crystal is of monoclinic, space group Cc with α = 22.626（6）, b = 14.012（4）, c = 15.106（4） ]A, β = 107.610（3）°, V = 4565（2） ]A^3, C20H23Cu2N3O8, Mr = 560.49, Z = 8, Dc = 1.631 g/cm^3,μ = 1.914 mm^-1, Flack parameter = 0.48（1）, F（000） = 2288, R = 0.042 and wR = 0.098 for 8887 observed reflections （I 〉 20（I））. It consists of nearly linear one-dimensional chains [Cu2（CH3COO）4（C8H10N2）]n derived from paddle-wheel [Cu2（CH3COO）4] unit linked by 4,4＇-bipy, and CH3CN as guest molecule regularly decorates between the chains.
文摘Ultra-high strength and modulus polyethylene fibers can be produced from UHMW-PE(ul-tra-high molecular weight polyethylene) by gel spinning and ultra-high drawing method.The spe-cial supermolecular structure of″shish-kebabs″ is the intrinsic course for the fiber having highperformance.In this paper,the formation mechanism of the characteristic structure of PE fibershas been investigated by means of SEM,DSC,WAXD,SAXS and TEM,The experimental resultsshow that the extended-chain structure of PE fibers is formed originally from the bridged mole-cules in amorphous region and increased gradually during further drawing porcess.The″shish-kebab″ structure is formed by the combination of extended-chalnS and originalfolded-chains.
基金Project supported by the National Natursl Science Foundation of China.
文摘High energy proton is an important type of the space radiation. The paper investigates the radiatione ffect of high energy proton (27.9 MeV) on DNA aqueous solution in the field of the molecular mechanism. The following information about the microcosmic damage to the space structure of DNA was obtained: (ⅰ) breakage of a part of interbase hydrogen bonds which maintained double helical structure of DNA; (ⅱ) damage on four bases, in which the damage on adenine ring was the most serious; (ⅲ) obvious change of deoxyribose; (ⅳ) serious damage on backbone phosphate ion (PO_2^-) and phosphate diester (PO_2) and the occurrence of scissions of double-stranded and single-stranded DNAs; (ⅴ) obvious decrease in the amount of B-form conformation.
文摘The influence of the thermomagnetic treatment on metallurgical and mechanical properties of the rolling bearing steel was investigated. The heating and/or cooling and tempering processes of the samples occurred in a magnetic field having certain strengths. The X-ray diffraction （XRD） patterns of the rolling bearing （RUL 1） steel samples exhibited a beneficial effect of the magnetic field on the structure, phase transformation, and tension state. An increased fatigue reliability was found for the rolling tribomodel made from thermomagnetically treated steel.
文摘The ordered structures of oxygens and vacancies on the basal plane in YBa_2Cu_3O_(7-x) are investigated. The density wave theory of atomic configuration is extended to the crystal lattices composed of several interpenetrating Bravais sublattices, with the secondary ordering emphatically considered. Four kinds of Standard composition structures have been obtained, which correspond to x=0, 0.25, 0.5 and 0.75. respectively. Comparisons with experimental results are made.
基金Project supported by the Science Foundation of China National Nonferrous Metals Industry Corporation.
文摘By means of one-atom state method, the electronic structure of Ni metal has been determined to be [Ar] (3d_n)^(2.69)(3d_m)^(0.66)(3d_c)^(5.24)(4s_c)^(0.25)(4s_f)^(1.16), by which the potential curve, lattice constant, cohesive energy, verious elastic moduli and the temperature dependences of linear thermal expansion coefficient and specific heat have been calculated. The theoretical values of these properties are in good agreement with experiments, showing the basic completeness of the systematic analysis of Ni metal along electronic structurecrystal structure-physical properties.
基金Project supported by the National Natural Science Foundation of China
文摘<正> Ⅰ. INTRODUCTION The transition metal carbene compound with olefin ligand is an important intermediate in the metathesis of olefin, cyclopropanation of alkenes and Ziegler-Natta Polymerization of olefin. The synthesis and structure of the
文摘In 1969, Soviet mineralogists first reported wolframoixiolite, but failed to produce further data on it because of poor crystalline. We have carried out detailed single-crystal research on it and ascertained its structure. The composition of the wolframoixiolite occurring in the Soviet Union and Hunan, China is specified in
基金Project supported by the National Natural Science Foundation of China.
文摘We have systematically studied redox properties of two series of several dozen heteropoly acids (salts) and their derivatives with vanadium and rare-earth elements with Keggin and Dawson structures, e. g. LnHSiMo_(12), SiMo_(12-n)V_n, M_(1.5)PMo_(12), PMo_(12-n)V_n, PW_(12-n_V_n, Ln(PMo_(11))_2, Sm(XMo_(11))_2 and P_2Mo_(18-n)V_n, etc., and obtained their sequence of oxidation. It was found that there is a linear relationship between the reduction potentials of heteropoly anions and the derivatives of heteropoly anions with rare-earth elements with Keggin structure and nq^2 (n and q are the principal quantum number and charge of the central ion respectively). On the basis of the electrostatic model the regularity of oxidation and reduction was rationalized.
