In this paper, the molecular and crystal structures of the NH4[Y(trans CYDTA)(H2O)2]· 4.5 H2O(trans CYDTA=trans 1,2 cyclohexanediaminetetraacetic acid) are reported. The crystal data are as follows: Triclinic sys...In this paper, the molecular and crystal structures of the NH4[Y(trans CYDTA)(H2O)2]· 4.5 H2O(trans CYDTA=trans 1,2 cyclohexanediaminetetraacetic acid) are reported. The crystal data are as follows: Triclinic system, space group,a=0.8599(6)nm,b=1.0021(7)nm,c=1.4370(9)nm,α =88.095(13)° ,β =75.559(1)° ,γ =88.344(12)° ,V=1.1981(14)nm3,Z=2, M=708.68,Dc=1.570g· cm- 3, μ =2.506mm- 1 and F(000)=590. The final R1 and wR2 are 0.0571 and 0.1350 for 4205 [I >2.0σ (I)] unique reflections and 0.1007 and 0.1615 for all 4981 reflections, respectively. In the title complex, the anion [Y(trans CYDTA)(H2O)2]- has an eight coordination structure with distorted square antiprism. The trans CYDTA which acts as a hexadentate ligand with four O atoms and two N atoms and two H2O molecules directly coordinate to central metal Y? ion. It can be known that the Y? ion can form an eight coordinate compound with aminopolycarboxylic acid ligands in addition nine coordination structure.展开更多
The Weakest Bound Electron Potential Model theory is used to calculate transition probability-values and oscillator strength-values for individual lines of Sc（Ⅲ） and Y（Ⅲ）. In this method, by solving the SchrSdin...The Weakest Bound Electron Potential Model theory is used to calculate transition probability-values and oscillator strength-values for individual lines of Sc（Ⅲ） and Y（Ⅲ）. In this method, by solving the SchrSdinger equation of the weakest bound electron, the expressions of energy eigenvalue and the radial function can be obtained. And a coupled equation is used to determine the parameters which are needed in the calculations. The ob- tained results of Sc（III） from this work agree very well with the accepted values taken from the National Institute of Standards and Technoligy （NIST） data base, most deviations are within the accepted level. For Y（Ⅲ） there are no accepted values reported by the NIST data base. So we compared our results of Y（Ⅲ） with other theoretical results, good agreement is also obtained.展开更多
A novel compound, {[Y（HPIDC）（OX）1/2（H2O）]·2H2O}n （1, H3PIDC = 2-（pyridin-4- yl）-1H-imidazole-4,5-dicarboxylic acid, H2OX = oxalic acid）, has been synthesized under hydrothermal conditions and characteri...A novel compound, {[Y（HPIDC）（OX）1/2（H2O）]·2H2O}n （1, H3PIDC = 2-（pyridin-4- yl）-1H-imidazole-4,5-dicarboxylic acid, H2OX = oxalic acid）, has been synthesized under hydrothermal conditions and characterized by thermal analysis （TGA）, powder X-ray diffraction （PXRD）, and single-crystal X-ray diffraction. Complex 1 crystallizes in monoclinic space group P21/c with a = 8.342（8）, b = 14.61（1）, c = 11.487（1）, β = 90.78（9）°, V = 1400.4（2）3, Z = 4, C11H11N3O9Y, Mr = 418.14, Dc = 1.983 g/cm3, F（000） = 836, Rint = 0.0509, T = 293（2） K, μ = 4.240 mm-1, the final R = 0.0477 and wR = 0.1125 for 2770 observed reflections with I 2σ（I）. Compound 1 exhibits a 3D framework and generates the 1D open channels filled with free water molecules. The structure of 1 can be rationalized as a diamondoid network when the atom yttrium is regarded as a 4-connected node linking four surrounding yttrium atoms. The luminescent property of compound 1 is also investigated.展开更多
The electroreduction of Y(Ⅲ)on tungsten electrode in NaCl-KCl-YCl_3 melt has been investi- gated by cyclic voltammetry.Deposition of Y(Ⅲ)to Y(0)is reversible in one step.The cyclic voltammetry, convolution voltammet...The electroreduction of Y(Ⅲ)on tungsten electrode in NaCl-KCl-YCl_3 melt has been investi- gated by cyclic voltammetry.Deposition of Y(Ⅲ)to Y(0)is reversible in one step.The cyclic voltammetry, convolution voltammetry,potential-time curve after potentiostatic electrolysis and X-ray diffraction analy- sis were used to study the electrode process of Y(Ⅲ)reduced on iron electrode.Several Y-Fe intermetallic compounds are formed before the deposition of metallic yttrium.The diffusion coefficient and diffusion activation energy of Y in Y_6Fe_(23) were determined by current-time curve at potential step. The results indicate the diffusion of Y in its alloy phase is so slow that this step will control the electrode pro- cess.展开更多
文摘In this paper, the molecular and crystal structures of the NH4[Y(trans CYDTA)(H2O)2]· 4.5 H2O(trans CYDTA=trans 1,2 cyclohexanediaminetetraacetic acid) are reported. The crystal data are as follows: Triclinic system, space group,a=0.8599(6)nm,b=1.0021(7)nm,c=1.4370(9)nm,α =88.095(13)° ,β =75.559(1)° ,γ =88.344(12)° ,V=1.1981(14)nm3,Z=2, M=708.68,Dc=1.570g· cm- 3, μ =2.506mm- 1 and F(000)=590. The final R1 and wR2 are 0.0571 and 0.1350 for 4205 [I >2.0σ (I)] unique reflections and 0.1007 and 0.1615 for all 4981 reflections, respectively. In the title complex, the anion [Y(trans CYDTA)(H2O)2]- has an eight coordination structure with distorted square antiprism. The trans CYDTA which acts as a hexadentate ligand with four O atoms and two N atoms and two H2O molecules directly coordinate to central metal Y? ion. It can be known that the Y? ion can form an eight coordinate compound with aminopolycarboxylic acid ligands in addition nine coordination structure.
文摘The Weakest Bound Electron Potential Model theory is used to calculate transition probability-values and oscillator strength-values for individual lines of Sc（Ⅲ） and Y（Ⅲ）. In this method, by solving the SchrSdinger equation of the weakest bound electron, the expressions of energy eigenvalue and the radial function can be obtained. And a coupled equation is used to determine the parameters which are needed in the calculations. The ob- tained results of Sc（III） from this work agree very well with the accepted values taken from the National Institute of Standards and Technoligy （NIST） data base, most deviations are within the accepted level. For Y（Ⅲ） there are no accepted values reported by the NIST data base. So we compared our results of Y（Ⅲ） with other theoretical results, good agreement is also obtained.
基金supported by the 973 key program of the MOST(2010CB933501,2012CB821705)the Chinese Academy of Sciences(KJCX2-YW-319,KJCX2-EW-H01)+1 种基金the National Natural Science Foundation of China(20873150,20821061,20973173,50772113 and 91022008)the Natural Science Foundation of Fujian Province(2007HZ0001-1,2009HZ0004-1,2009HZ0005-1,2009HZ0006-1,2006L2005)
文摘A novel compound, {[Y（HPIDC）（OX）1/2（H2O）]·2H2O}n （1, H3PIDC = 2-（pyridin-4- yl）-1H-imidazole-4,5-dicarboxylic acid, H2OX = oxalic acid）, has been synthesized under hydrothermal conditions and characterized by thermal analysis （TGA）, powder X-ray diffraction （PXRD）, and single-crystal X-ray diffraction. Complex 1 crystallizes in monoclinic space group P21/c with a = 8.342（8）, b = 14.61（1）, c = 11.487（1）, β = 90.78（9）°, V = 1400.4（2）3, Z = 4, C11H11N3O9Y, Mr = 418.14, Dc = 1.983 g/cm3, F（000） = 836, Rint = 0.0509, T = 293（2） K, μ = 4.240 mm-1, the final R = 0.0477 and wR = 0.1125 for 2770 observed reflections with I 2σ（I）. Compound 1 exhibits a 3D framework and generates the 1D open channels filled with free water molecules. The structure of 1 can be rationalized as a diamondoid network when the atom yttrium is regarded as a 4-connected node linking four surrounding yttrium atoms. The luminescent property of compound 1 is also investigated.
基金The project supported by the National Natural Science Foundation of China
文摘The electroreduction of Y(Ⅲ)on tungsten electrode in NaCl-KCl-YCl_3 melt has been investi- gated by cyclic voltammetry.Deposition of Y(Ⅲ)to Y(0)is reversible in one step.The cyclic voltammetry, convolution voltammetry,potential-time curve after potentiostatic electrolysis and X-ray diffraction analy- sis were used to study the electrode process of Y(Ⅲ)reduced on iron electrode.Several Y-Fe intermetallic compounds are formed before the deposition of metallic yttrium.The diffusion coefficient and diffusion activation energy of Y in Y_6Fe_(23) were determined by current-time curve at potential step. The results indicate the diffusion of Y in its alloy phase is so slow that this step will control the electrode pro- cess.
