We first received and examined X-ray and IR （infra red） spectroscopy of uranium complexes with sugars. We proposed a method for direct synthesis of complex organic compounds, uranium chloride UO2Cl2 with various sug...We first received and examined X-ray and IR （infra red） spectroscopy of uranium complexes with sugars. We proposed a method for direct synthesis of complex organic compounds, uranium chloride UO2Cl2 with various sugars （D-glucose, D （＋） maltose, D-sucrose, D-lactose and the polysaccharide Dextran） as potential precursors for the treatment of cancer diseases.展开更多
Uranyl （VI） amidoxime complexes are investigated using relativistic density functional theory. The equilibrium structures, bond orders, and Mulliken populations of the complexes have been systematically investigated...Uranyl （VI） amidoxime complexes are investigated using relativistic density functional theory. The equilibrium structures, bond orders, and Mulliken populations of the complexes have been systematically investigated under a generalized gradient approximation （GGA）. Comparison of （acet） uranyl amidoxime complexes （[UO2（AO）n]2-n, 1≤ n≤4） with available experimental data shows an excellent agreement. In addition, the U-O（1）, U-O（3）, C（1）-N（2）, and C（3） N（4） bond lengths of [UO2（CH3AO）4]2- are longer than experimental data by about 0.088, 0.05, 0.1, and 0.056 A. The angles of N（3） O（3）-U, O（2）-N（1）-C（1）, N（3）-C（3）-N（4）, N（4）-C（3） C（4）, and C（4）-C（3）-N（3） are different from each other, which is due to existing interaction between oxygen in uranyl and hydrogen in amino group. This interaction is found to be intra-molecular hydrogen bond. Studies on the bond orders, Mulliken charges, and Mulliken populations demonstrate that uranyl oxo group functions as hydrogen-bond acceptors and H atoms in ligands act as hydrogen-bond donors forming hydrogen bonds within the complex.展开更多
The new uranyl complex UO2(NO3)2[PhN(CH3)C(O)(CH3)NPh]2 was synthesized and its crystal structure has been determined by single-crystal X-ray diffraction. Crystal data: C30H32N6O10U, triclinic, space group P with a = ...The new uranyl complex UO2(NO3)2[PhN(CH3)C(O)(CH3)NPh]2 was synthesized and its crystal structure has been determined by single-crystal X-ray diffraction. Crystal data: C30H32N6O10U, triclinic, space group P with a = 7.772(1), b = 9.267(1), c = 12.644(1) ? a = 68.246(8), b = 73.871(9), g = 84.99(1)o, V = 812.4(2) ?, Mr = 874.65, Z = 1, Dc = 1.788 g/cm3, F(000) = 426, m = 5.062 mm-1, the final R = 0.022 and wR = 0.059 for 3571 observed reflections (I > 2s(I)). The central uranyl ion is coordinated by six oxygen atoms, two from the carbonyl groups of N,N-dimethyl-N,N-dibenzenyl-urea molecules and the other four from two nitrate groups.展开更多
With a heptadentate compartmental Schiff-base ligand H3L (1, 3-di[o-(salicylimino) ph- enoxyl]-2-propanol), a new binuclear diuranyl complex [(UO2)2L(OH)]?DMF, C38H45N5O13U2, was synthesized and the crystal structure ...With a heptadentate compartmental Schiff-base ligand H3L (1, 3-di[o-(salicylimino) ph- enoxyl]-2-propanol), a new binuclear diuranyl complex [(UO2)2L(OH)]?DMF, C38H45N5O13U2, was synthesized and the crystal structure was determined by X-ray diffraction techniques. The coordination geometry are two pentagonal bipyramids. In each pentagon four kinds of U-O (phenoxido, hydroxo, alkoxo and ether oxo) bonds are discussed.展开更多
The new uranyl complex UO2(NO3)2[C5H10NC(O)NH10C5]2 has been synthesized and its structure was determined by single-crystal X-ray diffraction. Crystal data: C22H40N6O10U, monoclinic, space group P21/c, a = 11.151(3)...The new uranyl complex UO2(NO3)2[C5H10NC(O)NH10C5]2 has been synthesized and its structure was determined by single-crystal X-ray diffraction. Crystal data: C22H40N6O10U, monoclinic, space group P21/c, a = 11.151(3), b = 13.907(3), c = 10.067(2) ?, β = 115.602(4)°, V = 1408.0(5) ?3, Mr = 786.63, Z = 2, Dc = 1.855 g/cm3, F(000) = 772, μ = 5.827 mm-1, R = 0.0465 and wR = 0.1065 for 2916 observed reflections (I > 2σ(I)). The central uranyl ion is coordinated by six oxygen atoms, of which two are from the carbonyl groups of di-piperidin-1-yl-methanone molecules and the other four from two nitrate groups.展开更多
The crystal structure of the title compound UO2(NO3)2[CH2(CH2)2CONC8H17] was determined by single-crystal X-ray diffraction. Crystal data: triclinic, space group P , a = 7.456(2), b = 8.371(2), c = 13.470(3) ? ?= 95.6...The crystal structure of the title compound UO2(NO3)2[CH2(CH2)2CONC8H17] was determined by single-crystal X-ray diffraction. Crystal data: triclinic, space group P , a = 7.456(2), b = 8.371(2), c = 13.470(3) ? ?= 95.66(1), ?= 94.64(2), ?= 102.67(2), C24H46N4O10U, Mr = 788.68, V = 811.7(3) ?, Dc = 1.613 g/cm3, Z = 1, F(000) = 390, ?= 5.052 mm-1, the final R = 0.0256 and wR = 0.0568 for 2826 observed reflections (I > 2(I)). The central uranyl ions are coordinated by six oxygen atoms. Two of them are from the carbonyl groups of N-octyl-a-pyrrolidone molecules, and the other four from two nitrate groups.展开更多
-The i. r. spectra of Na4 [UO2 (CO3)3], Na [UO2 (OH)3] and the surface species of uranium on HTO underthe condition of flowing natural seawater and concentrated seawater (NaCl-NaHCO3-U) were recorded, with the bands o...-The i. r. spectra of Na4 [UO2 (CO3)3], Na [UO2 (OH)3] and the surface species of uranium on HTO underthe condition of flowing natural seawater and concentrated seawater (NaCl-NaHCO3-U) were recorded, with the bands of urany! of surface species obtained and the finding that iigands of surface species besides HTO are mainly water and OH, and there are some CO32- groups under the condition of natural seawater. Some relations between the complex properties and the j. r. spectroscopic characters for uranyl complexes were studied, and the transferred change quantity of surface complex was calculated.Structure models for surface species of adsorption are herein presented and the mechanism for uranium adsorption is deduced.展开更多
The title compound [UO2 （p-CH3C6H4SOC4H9）2 （NO3 ）2] is triclinicwith space group P1. a=8. 651 （3）, b=9. 097（2）, c=9. 621 （2） A;a=92. 29（1）, β=95. 97（3）, r=98. 25（3）, V=744. 1（3） A3, Z=1, Mr=786.41, ...The title compound [UO2 （p-CH3C6H4SOC4H9）2 （NO3 ）2] is triclinicwith space group P1. a=8. 651 （3）, b=9. 097（2）, c=9. 621 （2） A;a=92. 29（1）, β=95. 97（3）, r=98. 25（3）, V=744. 1（3） A3, Z=1, Mr=786.41, Dc=1. 425 g/cm3. u=5. 626 mm-1, F （000） =300. R=0. 030, Rw=0. 071 for 2917 reflectionswith I≥2（I）. Uranyl ion is coordinated to six oxygen atoms, of which two are fromtwo monodenate sulfoxides and the others from two nitrate groups. The coordinationPOlyhedron around U is a hexagonal bipyramid, the U atom is in the center of symmetry.展开更多
文摘We first received and examined X-ray and IR （infra red） spectroscopy of uranium complexes with sugars. We proposed a method for direct synthesis of complex organic compounds, uranium chloride UO2Cl2 with various sugars （D-glucose, D （＋） maltose, D-sucrose, D-lactose and the polysaccharide Dextran） as potential precursors for the treatment of cancer diseases.
基金Project supported by the Science and Technology Development Foundation of China Academy of Engineering Physics （Grant No. 2011A0301003）.
文摘Uranyl （VI） amidoxime complexes are investigated using relativistic density functional theory. The equilibrium structures, bond orders, and Mulliken populations of the complexes have been systematically investigated under a generalized gradient approximation （GGA）. Comparison of （acet） uranyl amidoxime complexes （[UO2（AO）n]2-n, 1≤ n≤4） with available experimental data shows an excellent agreement. In addition, the U-O（1）, U-O（3）, C（1）-N（2）, and C（3） N（4） bond lengths of [UO2（CH3AO）4]2- are longer than experimental data by about 0.088, 0.05, 0.1, and 0.056 A. The angles of N（3） O（3）-U, O（2）-N（1）-C（1）, N（3）-C（3）-N（4）, N（4）-C（3） C（4）, and C（4）-C（3）-N（3） are different from each other, which is due to existing interaction between oxygen in uranyl and hydrogen in amino group. This interaction is found to be intra-molecular hydrogen bond. Studies on the bond orders, Mulliken charges, and Mulliken populations demonstrate that uranyl oxo group functions as hydrogen-bond acceptors and H atoms in ligands act as hydrogen-bond donors forming hydrogen bonds within the complex.
基金This work was supported by the Funds of the Key Laboratory of Organic Syntheses of Jiangsu province (No. KJS01018) and the Funds of Young Teachers of Suzhou University
文摘The new uranyl complex UO2(NO3)2[PhN(CH3)C(O)(CH3)NPh]2 was synthesized and its crystal structure has been determined by single-crystal X-ray diffraction. Crystal data: C30H32N6O10U, triclinic, space group P with a = 7.772(1), b = 9.267(1), c = 12.644(1) ? a = 68.246(8), b = 73.871(9), g = 84.99(1)o, V = 812.4(2) ?, Mr = 874.65, Z = 1, Dc = 1.788 g/cm3, F(000) = 426, m = 5.062 mm-1, the final R = 0.022 and wR = 0.059 for 3571 observed reflections (I > 2s(I)). The central uranyl ion is coordinated by six oxygen atoms, two from the carbonyl groups of N,N-dimethyl-N,N-dibenzenyl-urea molecules and the other four from two nitrate groups.
文摘With a heptadentate compartmental Schiff-base ligand H3L (1, 3-di[o-(salicylimino) ph- enoxyl]-2-propanol), a new binuclear diuranyl complex [(UO2)2L(OH)]?DMF, C38H45N5O13U2, was synthesized and the crystal structure was determined by X-ray diffraction techniques. The coordination geometry are two pentagonal bipyramids. In each pentagon four kinds of U-O (phenoxido, hydroxo, alkoxo and ether oxo) bonds are discussed.
基金This work was supported by the Natural Science Foundation of University of Jiangsu Province(No. 03KJB150118) and the Key Laboratory of Organic Synthesis of Jiangsu Province
文摘The new uranyl complex UO2(NO3)2[C5H10NC(O)NH10C5]2 has been synthesized and its structure was determined by single-crystal X-ray diffraction. Crystal data: C22H40N6O10U, monoclinic, space group P21/c, a = 11.151(3), b = 13.907(3), c = 10.067(2) ?, β = 115.602(4)°, V = 1408.0(5) ?3, Mr = 786.63, Z = 2, Dc = 1.855 g/cm3, F(000) = 772, μ = 5.827 mm-1, R = 0.0465 and wR = 0.1065 for 2916 observed reflections (I > 2σ(I)). The central uranyl ion is coordinated by six oxygen atoms, of which two are from the carbonyl groups of di-piperidin-1-yl-methanone molecules and the other four from two nitrate groups.
基金This work was supported by the National Natural Science Foundation of China and the funds of the Key Laboratory of Organic Syntheses of Jiansu Province
文摘The crystal structure of the title compound UO2(NO3)2[CH2(CH2)2CONC8H17] was determined by single-crystal X-ray diffraction. Crystal data: triclinic, space group P , a = 7.456(2), b = 8.371(2), c = 13.470(3) ? ?= 95.66(1), ?= 94.64(2), ?= 102.67(2), C24H46N4O10U, Mr = 788.68, V = 811.7(3) ?, Dc = 1.613 g/cm3, Z = 1, F(000) = 390, ?= 5.052 mm-1, the final R = 0.0256 and wR = 0.0568 for 2826 observed reflections (I > 2(I)). The central uranyl ions are coordinated by six oxygen atoms. Two of them are from the carbonyl groups of N-octyl-a-pyrrolidone molecules, and the other four from two nitrate groups.
文摘-The i. r. spectra of Na4 [UO2 (CO3)3], Na [UO2 (OH)3] and the surface species of uranium on HTO underthe condition of flowing natural seawater and concentrated seawater (NaCl-NaHCO3-U) were recorded, with the bands of urany! of surface species obtained and the finding that iigands of surface species besides HTO are mainly water and OH, and there are some CO32- groups under the condition of natural seawater. Some relations between the complex properties and the j. r. spectroscopic characters for uranyl complexes were studied, and the transferred change quantity of surface complex was calculated.Structure models for surface species of adsorption are herein presented and the mechanism for uranium adsorption is deduced.
文摘The title compound [UO2 （p-CH3C6H4SOC4H9）2 （NO3 ）2] is triclinicwith space group P1. a=8. 651 （3）, b=9. 097（2）, c=9. 621 （2） A;a=92. 29（1）, β=95. 97（3）, r=98. 25（3）, V=744. 1（3） A3, Z=1, Mr=786.41, Dc=1. 425 g/cm3. u=5. 626 mm-1, F （000） =300. R=0. 030, Rw=0. 071 for 2917 reflectionswith I≥2（I）. Uranyl ion is coordinated to six oxygen atoms, of which two are fromtwo monodenate sulfoxides and the others from two nitrate groups. The coordinationPOlyhedron around U is a hexagonal bipyramid, the U atom is in the center of symmetry.
