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RESEARCH PAPER · Inorganic Chemistry · 2007

Uranyl Coordination in Ionic Liquids: The Competition between Ionic Liquid Anions, Uranyl Counterions, and Cl- Anions Investigated by Extended X-ray Absorption Fine Structure and UV−Visible Spectroscopies and Molecular Dynamics Simulations

C. Gaillard, Alain Chaumont, Isabelle Billard, Christoph Hennig, Ali Ouadi, Georges Wipff

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Uranyl Coordination in Ionic Liquids: The Competition between Ionic Liquid Anions, Uranyl Counterions, and Cl- Anions Investigated by Extended X-ray Absorption Fine Structure and UV−Visible Spectroscopies and Molecular Dynamics SimulationsOriginalDissolution of UO2, UO3 and of some lanthanide oxides in BumimTf2N: effect of acid and water and formation of UO2(NO3)3–68Speciation of Uranyl Nitrato Complexes in Acetonitrile and in the Ionic Liquid 1‐Butyl‐3‐methylimidazolium Bis(trifluoromethylsulfonyl)imide68Speciation of Uranyl Complexes in Ionic Liquids by Optical Spectroscopy127Using ionic liquids to trap unique coordination environments: polymorphic solvates of ErCl 3 (OH 2 ) 4 ·2([C2mim]Cl)17Ionic Liquids from Theoretical Investigations88The actinides0Structural Determination of Individual Chemical Species in a Mixed System by Iterative Transformation Factor Analysis-Based X-ray Absorption Spectroscopy Combined with UV−Visible Absorption and Quantum Chemical Calculation40Species Distribution and Coordination of Uranyl Chloro Complexes in Acetonitrile49Complexation of Uranium(VI) with Aromatic Acids in Aqueous Solution: A Combined Computational and Experimental Study17Equatorial and apical solvent shells of the UO22+ ion94Dissolution of uranium oxides and electrochemical behavior of U(VI) in task specific ionic liquid80Electrochemical and Complexation Behavior of Neptunium in Aqueous Perchlorate and Nitrate Solutions115Chloride Complexation by Uranyl in a Room Temperature Ionic Liquid. A Computational Study17Atomistic Simulation of Ionic Liquids11Application of Ionic Liquid as a Medium for Treating Waste Contaminated with UF410Electrochemical Studies on Uranyl(VI) Chloride Complexes in Ionic Liquid, 1-Butyl-3-methylimidazolium Chloride33Heavy Elements in Ionic Liquids40Complex Formation of Uranyl Ion with Triphenylphosphine Oxide and Its Ligand Exchange Reaction in 1-Butyl-3-methylimidazolium Nonafluorobutanesulfonate Ionic Liquid13Solvation of Ln(III) Lanthanide Cations in the [BMI][SCN], [MeBu3N][SCN], and [BMI]5[Ln(NCS)8] Ionic Liquids: A Molecular Dynamics Study41Coordination environment of [UO2Br4]2− in ionic liquids and crystal structure of [Bmim]2[UO2Br4]29The Missing Link Crystallized from the Ionic Liquid 1-Ethyl-3-methylimidazolium Tosylate: Bis-aqua-(p-toluenesulfonato-O)-europium(III)-bis-p-toluenesulfonate Dihydrate12X-ray Photoelectron Spectroscopy and in Situ X-ray Absorption Spectroscopy Studies on Reversible Insertion/Desertion of Dicyanamide Anions into/from Manganese Oxide in Ionic Liquid101Actinide and lanthanide speciation in imidazolium-based ionic liquids49Speciation and Structural Study of U(IV) and -(VI) in Perchloric and Nitric Acid Solutions114Application of Ionic Liquid as a Medium for Treating Waste Contaminated with UF411Uranium Chemistry in Soils and Sediments28Determination of Successive Complexation Constants in an Ionic Liquid: Complexation of UO22+ with NO3− in C4-mimTf2N Studied by UV−Vis Spectroscopy68Crystallization of Uranyl Salts from Dialkylimidazolium Ionic Liquids or Their Precursors27Ionic Liquids for Lanthanide and Actinide Chemistry199Competitive Complexation of Nitrates and Chlorides to Uranyl in a Room Temperature Ionic Liquid40Syntheses and structures of three disulfoxide uranyl complexes6Characterization of Uranyl(VI) Nitrate Complexes in a Room Temperature Ionic Liquid Using Attenuated Total Reflection-Fourier Transform Infrared Spectrometry24Understanding the nitrate coordination to Eu3+ ions in solution by potential of mean force calculations45Uranium dioxide in ionic liquid with a tri-n-butylphosphate–HNO3 complex—dissolution and coordination environment38Cluster-Models for Uranyl(VI) Adsorption on α-Alumina36Effect of Nitrate, Perchlorate, and Water on Uranyl(VI) Speciation in a Room-Temperature Ionic Liquid: A Spectroscopic Investigation31Insights into Uranyl Chemistry from Molecular Dynamics Simulations64Spectroelectrochemical Identification of a Pentavalent Uranyl Tetrachloro Complex in Room-Temperature Ionic Liquid23Ionic Liquids-Based Extraction: A Promising Strategy for the Advanced Nuclear Fuel Cycle852Evidence for the formation of UO2(NO3)42− in an ionic liquid by EXAFS23Observation and investigation of the uranyl tetrafluoride dianion (UO2F42−) and its solvation complexes with water and acetonitrile48First-principles molecular dynamics simulations of uranyl ion interaction at the water/rutile TiO2(110) interface17Perrhenate Complexation by Uranyl in Traditional Solvents and in Ionic Liquids: A Joint Molecular Dynamics/Spectroscopic Study25Bromide Complexation by the EuIII Lanthanide Cation in Dry and Humid Ionic Liquids: A Molecular Dynamics PMF Study4Electrochemical behavior of [UO2Cl4]2− in 1-ethyl-3-methylimidazolium based ionic liquids15Actinide Chemistry in Ionic Liquids87Specific Cooperative Effect of a Macrocyclic Receptor for Metal Ion Transfer into an Ionic Liquid24Probing the Nature of Chemical Bonding in Uranyl(VI) Complexes with Quantum Chemical Methods136Uranyl–halide complexation in N,N-dimethylformamide: halide coordination trend manifests hardness of [UO2]2+13Electrochemistry of soluble UO22+ from the direct dissolution of UO2CO3 in acidic ionic liquid containing water23Effect of Solvation? Complexation of Neodymium(III) with Nitrate in an Ionic Liquid (BumimTf2N) in Comparison with Water30Structure and Dynamics of Uranyl(VI) and Plutonyl(VI) Cations in Ionic Liquid/Water Mixtures via Molecular Dynamics Simulations43Uranyl(VI) Complexes in and from Imidazolium Acetate Ionic Liquids: Carbenes versus Acetates?35Exploring Actinide Materials Through Synchrotron Radiation Techniques104Crystallization in Ionic Liquids: Synthesis, Properties, and Polymorphs of Uranyl Salts27The efficient enrichment of U( vi ) by graphene oxide-supported chitosan63Binary lanthanide( iii )/nitrate and ternary lanthanide( iii )/nitrate/chloride complexes in an ionic liquid containing water: optical absorption and luminescence studies29Electrode–Electrolyte Interfacial Processes in Ionic Liquids and Sensor Applications9Feasibility studies on electrochemical recovery of uranium from solid wastes contaminated with uranium using 1-butyl-3-methylimidazorium chloride as an electrolyte26Electronic and Chemical State of Aluminum from the Single- (K) and Double-Electron Excitation (KLII&III, KLI) X-ray Absorption Near-Edge Spectra of α-Alumina, Sodium Aluminate, Aqueous Al3+·(H2O)6, and Aqueous Al(OH)4–23Molecular dynamics simulations of the structure and single-particle dynamics of mixtures of divalent salts and ionic liquids23Density functional theory study of UO2+2 solvation in 1-butyl-3-methylimidazolium chloride1Nickel(II) Complexation with Nitrate in Dry [C4mim][Tf2N] Ionic Liquid: A Spectroscopic, Microcalorimetric, and Molecular Dynamics Study46Ionic Liquids for Sustainable Production of Actinides and Lanthanides3Complexation of tetraalkyl diglycolamides with trivalent f-cations in a room temperature ionic liquid: extraction and spectroscopic investigations25Electrodeposition of Metals6Thermodynamic Insight into the Solvation and Complexation Behavior of U(VI) in Ionic Liquid: Binding of CMPO with U(VI) Studied by Optical Spectroscopy and Calorimetry18Dissolution of U 3 O 8 in 1-butyl-3-methylimidazolium chloride and spectroscopic and electrochemical behavior of U(VI) in the resultant solution13Metal-containing ionic liquids: current paradigm and applications56Complexation thermodynamics of tetraalkyl diglycolamides with trivalent f-elements in ionic liquids: spectroscopic, microcalorimetric and computational studies17A molecular dynamics investigation of actinyl–ligand speciation in aqueous solution22Anodic Dissolution of Uranium and Zirconium Metals and Electrochemical Behavior of U(Iv) and Zr(Iv) in Ionic Liquid Medium for Metallic Fuel Reprocessing6Thermodynamic and spectroscopic study on the solvation and complexation behavior of Ln( iii ) in ionic liquids: binding of Ln( iii ) with CMPO in C 4 mimNTf 219Colorimetric detection of Cu2+ and UO22+ by mixed solvent effect16Exploring Actinide Materials through Synchrotron Radiation Techniques4Impacts of Oxo Interactions on Np(V) Crown Ether Complexes19Complexation of 2-thenoyltrifluoroacetone (HTTA) with trivalent f-cations in an ionic liquid: solvent extraction and spectroscopy studies18Coordination of Nd( iii ) and Eu( iii ) with monodentate organophosphorus ligands in ionic liquids: spectroscopy and thermodynamics11Ionic liquids with polychloride anions as effective oxidants for the dissolution of UO 221Spectroscopic methods of process monitoring for safeguards of used nuclear fuel separations1Quenching Mechanism of Uranyl(VI) by Chloride and Bromide in Aqueous and Non-Aqueous Solutions17New Greener and Sustainable Methodology for Direct Sequestering and Analysis of Uranium Using a Maline Supramolecular Scaffold and Mechanistic Understanding through Speciation and Interaction Studies20In Situ Preconcentration during the Di-(2-ethylhexyl) Phosphoric Acid-Assisted Dissolution of Uranium Trioxide in an Ionic Liquid: Spectroscopic, Electrochemical, and Theoretical Studies20Complexation between uranyl(VI) and CMPO in a hydroxyl-functionalized ionic liquid: An extraction, spectrophotography, and calorimetry study7Combined experimental and theoretical studies of some uranium(VI) complexes derived from imidazole-based carbenes0Factor Analysis and X-ray Absorption Spectroscopy —Application to Determination of Individual Chemical Species and Compounds—1In-Situ-Generated Fluoride-Assisted Rapid Dissolution of Uranium Oxides by Ionic Liquids16

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  1. Dissolution of UO2, UO3 and of some lanthanide oxides in BumimTf2N: effect of acid and water and formation of UO2(NO3)3–

    Dalton Transactions · 2007-01-01

    Isabelle Billard, C. Gaillard, Christoph Hennig

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  2. Speciation of Uranyl Nitrato Complexes in Acetonitrile and in the Ionic Liquid 1‐Butyl‐3‐methylimidazolium Bis(trifluoromethylsulfonyl)imide

    European Journal of Inorganic Chemistry · 2007-09-18

    Kelly Servaes, Christoph Hennig, Isabelle Billard, C. Gaillard, Koen Binnemans, Christiane Görller‐Walrand, Rik Van Deun

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  3. Speciation of Uranyl Complexes in Ionic Liquids by Optical Spectroscopy

    Inorganic Chemistry · 2007-11-29

    Peter Nockemann, Kelly Servaes, Rik Van Deun, Kristof Van Hecke, Luc Van Meervelt, Koen Binnemans, Christiane Görller‐Walrand

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  4. Using ionic liquids to trap unique coordination environments: polymorphic solvates of ErCl 3 (OH 2 ) 4 ·2([C2mim]Cl)

    Chemical Communications · 2007-12-19

    C.C. Hines, Violina A. Cocalia, Robin Don Rogers

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  5. Ionic Liquids from Theoretical Investigations

    Topics in current chemistry · 2008-01-01

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  6. The actinides

    Annual Reports Section A (Inorganic Chemistry) · 2008-01-01

    S. A. Cotton

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  7. Structural Determination of Individual Chemical Species in a Mixed System by Iterative Transformation Factor Analysis-Based X-ray Absorption Spectroscopy Combined with UV−Visible Absorption and Quantum Chemical Calculation

    Analytical Chemistry · 2008-01-23

    Atsushi Ikeda‐Ohno, Christoph Hennig, A. Roßberg, Satoru Tsushima, Andreas C. Scheinost, Gert Bernhard

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  8. Species Distribution and Coordination of Uranyl Chloro Complexes in Acetonitrile

    Inorganic Chemistry · 2008-03-14

    Christoph Hennig, Kelly Servaes, Peter Nockemann, Kristof Van Hecke, Luc Van Meervelt, Johan Wouters, Linda Fluyt, Christiane Görller‐Walrand, Rik Van Deun

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  9. Complexation of Uranium(VI) with Aromatic Acids in Aqueous Solution: A Combined Computational and Experimental Study

    Inorganic Chemistry · 2008-03-25

    Jonas Wiebke, Anna Moritz, Maja Glorius, Henry Moll, Gert Bernhard, Michael Dolg

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  10. Equatorial and apical solvent shells of the UO22+ ion

    The Journal of Chemical Physics · 2008-03-25

    Patrick Nichols, Eric J. Bylaska, Gregory K. Schenter, Wibe Albert de Jong

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  11. Dissolution of uranium oxides and electrochemical behavior of U(VI) in task specific ionic liquid

    Radiochimica Acta · 2008-06-24

    Ch. Jagadeeswara Rao, K. A. Venkatesan, Krishnamurthy Nagarajan, T. G. Srinivasan

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  12. Electrochemical and Complexation Behavior of Neptunium in Aqueous Perchlorate and Nitrate Solutions

    Inorganic Chemistry · 2008-08-13

    Atsushi Ikeda‐Ohno, Christoph Hennig, A. Roßberg, Harald Funke, Andreas C. Scheinost, Gert Bernhard, Tsuyoshi Yaita

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  13. Chloride Complexation by Uranyl in a Room Temperature Ionic Liquid. A Computational Study

    The Journal of Physical Chemistry B · 2008-08-28

    Alain Chaumont, Georges Wipff

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  14. Atomistic Simulation of Ionic Liquids

    Reviews in computational chemistry · 2008-10-20

    Edward Joseph Maginn

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  15. Application of Ionic Liquid as a Medium for Treating Waste Contaminated with UF4

    Journal of Nuclear Science and Technology · 2009-01-01

    Yusuke Ohashi, Noriko Asanuma, Masayuki Harada, Yukio Wada, Tatsuo Matsubara, Yasuhisa Ikeda

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  16. Electrochemical Studies on Uranyl(VI) Chloride Complexes in Ionic Liquid, 1-Butyl-3-methylimidazolium Chloride

    Journal of Nuclear Science and Technology · 2009-01-01

    Yasuhisa Ikeda, Katsuyuki HIROE, Noriko Asanuma, Atsushi SHIRAI

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  17. Heavy Elements in Ionic Liquids

    Topics in current chemistry · 2009-01-01

    Andreas Taubert

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  18. Complex Formation of Uranyl Ion with Triphenylphosphine Oxide and Its Ligand Exchange Reaction in 1-Butyl-3-methylimidazolium Nonafluorobutanesulfonate Ionic Liquid

    Inorganic Chemistry · 2009-01-12

    Koichiro Takao, Takafumi Takahashi, Yasuhisa Ikeda

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  19. Solvation of Ln(III) Lanthanide Cations in the [BMI][SCN], [MeBu3N][SCN], and [BMI]5[Ln(NCS)8] Ionic Liquids: A Molecular Dynamics Study

    Inorganic Chemistry · 2009-02-09

    Alain Chaumont, Georges Wipff

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  20. Coordination environment of [UO2Br4]2− in ionic liquids and crystal structure of [Bmim]2[UO2Br4]

    Polyhedron · 2009-03-07

    Marie-Olga Sornein, Mickaël Mendes, Céline Cannes, Claire Le Naour, Peter Nockemann, Kristof Van Hecke, Luc Van Meervelt, J.‐C. Berthet, Christoph Hennig

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  21. The Missing Link Crystallized from the Ionic Liquid 1-Ethyl-3-methylimidazolium Tosylate: Bis-aqua-(p-toluenesulfonato-O)-europium(III)-bis-p-toluenesulfonate Dihydrate

    Crystal Growth & Design · 2009-04-27

    Si‐Fu Tang, Anja‐Verena Mudring

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  22. X-ray Photoelectron Spectroscopy and in Situ X-ray Absorption Spectroscopy Studies on Reversible Insertion/Desertion of Dicyanamide Anions into/from Manganese Oxide in Ionic Liquid

    Chemistry of Materials · 2009-06-04

    Jeng‐Kuei Chang, Ming‐Tsung Lee, Wen‐Ta Tsai, Ming-Jay Deng, I‐Wen Sun

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  23. Actinide and lanthanide speciation in imidazolium-based ionic liquids

    Radiochimica Acta · 2009-06-29

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  24. Speciation and Structural Study of U(IV) and -(VI) in Perchloric and Nitric Acid Solutions

    Inorganic Chemistry · 2009-07-02

    Atsushi Ikeda‐Ohno, Christoph Hennig, Satoru Tsushima, Andreas C. Scheinost, Gert Bernhard, Tsuyoshi Yaita

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  25. Application of Ionic Liquid as a Medium for Treating Waste Contaminated with UF4

    Journal of Nuclear Science and Technology · 2009-08-01

    Yusuke Ohashi, Noriko Asanuma, Masayuki Harada, Yukio Wada, Tatsuo Matsubara, Yasuhisa Ikeda

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  26. Uranium Chemistry in Soils and Sediments

    Developments in psychiatry · 2010-01-01

    Shelly D. Kelly

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  27. Determination of Successive Complexation Constants in an Ionic Liquid: Complexation of UO22+ with NO3− in C4-mimTf2N Studied by UV−Vis Spectroscopy

    The Journal of Physical Chemistry B · 2010-03-10

    Sylvia Georg, Isabelle Billard, Ali Ouadi, C. Gaillard, Laetitia Petitjean, Michel Picquet, Vitaly P. Solov’ev

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  28. Crystallization of Uranyl Salts from Dialkylimidazolium Ionic Liquids or Their Precursors

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  29. Ionic Liquids for Lanthanide and Actinide Chemistry

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  30. Competitive Complexation of Nitrates and Chlorides to Uranyl in a Room Temperature Ionic Liquid

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  31. Syntheses and structures of three disulfoxide uranyl complexes

    Journal of Coordination Chemistry · 2010-07-27

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  32. Characterization of Uranyl(VI) Nitrate Complexes in a Room Temperature Ionic Liquid Using Attenuated Total Reflection-Fourier Transform Infrared Spectrometry

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  33. Understanding the nitrate coordination to Eu3+ ions in solution by potential of mean force calculations

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  34. Uranium dioxide in ionic liquid with a tri-n-butylphosphate–HNO3 complex—dissolution and coordination environment

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  35. Cluster-Models for Uranyl(VI) Adsorption on α-Alumina

    The Journal of Physical Chemistry A · 2011-01-26

    Vassiliki‐Alexandra Glezakou, Wibe Albert de Jong

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  36. Effect of Nitrate, Perchlorate, and Water on Uranyl(VI) Speciation in a Room-Temperature Ionic Liquid: A Spectroscopic Investigation

    Inorganic Chemistry · 2011-07-25

    Sofie P. Pasilis, Alexander L. Blumenfeld

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  37. Insights into Uranyl Chemistry from Molecular Dynamics Simulations

    ChemPhysChem · 2011-09-29

    Michæl Bühl, Georges Wipff

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  38. Spectroelectrochemical Identification of a Pentavalent Uranyl Tetrachloro Complex in Room-Temperature Ionic Liquid

    Inorganic Chemistry · 2011-10-04

    Toshinari Ogura, Koichiro Takao, Kotoe Sasaki, Tsuyoshi Arai, Yasuhisa Ikeda

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  39. Ionic Liquids-Based Extraction: A Promising Strategy for the Advanced Nuclear Fuel Cycle

    Chemical Reviews · 2011-12-05

    Xiaoqi Sun, Huimin Luo, Sheng Dai

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  40. Evidence for the formation of UO2(NO3)42− in an ionic liquid by EXAFS

    Dalton Transactions · 2012-01-01

    C. Gaillard, Olga Klimchuk, Ali Ouadi, Isabelle Billard, Christoph Hennig

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  41. Observation and investigation of the uranyl tetrafluoride dianion (UO2F42−) and its solvation complexes with water and acetonitrile

    Chemical Science · 2012-01-01

    Phuong Diem Dau, Jing Su, Hongtao Liu, Jian‐Biao Liu, Dao‐Ling Huang, Jun Li, Lai‐Sheng Wang

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  42. First-principles molecular dynamics simulations of uranyl ion interaction at the water/rutile TiO2(110) interface

    Surface Science · 2012-02-08

    Karim Sebbari, Jérôme Roques, E. Simoni, Christophe Domain, Hadrien Perron, H. Catalette

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  43. Perrhenate Complexation by Uranyl in Traditional Solvents and in Ionic Liquids: A Joint Molecular Dynamics/Spectroscopic Study

    The Journal of Physical Chemistry B · 2012-02-13

    Alain Chaumont, Olga Klimchuk, C. Gaillard, Isabelle Billard, Ali Ouadi, Christoph Hennig, Georges Wipff

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  44. Bromide Complexation by the EuIII Lanthanide Cation in Dry and Humid Ionic Liquids: A Molecular Dynamics PMF Study

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  45. Electrochemical behavior of [UO2Cl4]2− in 1-ethyl-3-methylimidazolium based ionic liquids

    Science China Chemistry · 2012-07-18

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  46. Actinide Chemistry in Ionic Liquids

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  47. Specific Cooperative Effect of a Macrocyclic Receptor for Metal Ion Transfer into an Ionic Liquid

    Analytical Chemistry · 2012-10-10

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  48. Probing the Nature of Chemical Bonding in Uranyl(VI) Complexes with Quantum Chemical Methods

    The Journal of Physical Chemistry A · 2012-11-14

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  49. Uranyl–halide complexation in N,N-dimethylformamide: halide coordination trend manifests hardness of [UO2]2+

    Dalton Transactions · 2013-01-01

    Koichiro Takao, Shinobu Takao, Yasuhisa Ikeda, Gert Bernhard, Christoph Hennig

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  50. Electrochemistry of soluble UO22+ from the direct dissolution of UO2CO3 in acidic ionic liquid containing water

    Electrochimica Acta · 2013-01-29

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