Structural and spectroscopic studies of the complex [BuMeIm]2[UCl6] in the solid state and in hydrophobic room temperature ionic liquid [BuMeIm][Tf2N]

Nikitenko, Sergey I.; Hennig, Christoph; Grigoriev, Mikhail S.; Naour, C. Le; Cannes, Céline; Trubert, D.; Bossé, Emilie; Berthon, Christophe; Moisy, Philippe

doi:10.1016/j.poly.2007.02.014

Cited by 47 publications

(44 citation statements)

References 21 publications

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“…The trend of the calculated gas phase U-Cl bond lengths is consistent with the experimental values measured in the condensed phase. [77][78][79][80][81][82][83] In particular, for UCl 6 2− , the counterions in the crystal lattice counterbalance the strong Coulomb repulsion between the Cl − ions, resulting in shorter R(U-Cl) values than in vacuum. The geometric and electronic structures are reasonably reproduced by the DFT approximation, which gives confidence in the calculated (harmonic) symmetric stretching vibrational frequencies.…”

Section: Theoretical Resultsmentioning

confidence: 99%

Photoelectron spectroscopy and theoretical studies of gaseous uranium hexachlorides in different oxidation states: UCl6q− (q = 0–2)

Dau

Liu

et al. 2015

The Journal of Chemical Physics

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Uranium chlorides are important in actinide chemistry and nuclear industries, but their chemical bonding and many physical and chemical properties are not well understood yet. Here, we report the first experimental observation of two gaseous uranium hexachloride anions, UCl6 (-) and UCl6 (2-), which are probed by photoelectron spectroscopy in conjunction with quantum chemistry calculations. The electron affinity of UCl6 is measured for the first time as +5.3 eV; its second electron affinity is measured to be +0.60 eV from the photoelectron spectra of UCl6 (2-). We observe that the detachment cross sections of the 5f electrons are extremely weak in the visible and UV energy ranges. It is found that the one-electron one-determinental molecular orbital picture and Koopmans' theorem break down for the strongly internally correlated U-5f(2) valence shell of tetravalent U(+4) in UCl6 (2-). The calculated adiabatic and vertical electron detachment energies from ab initio calculations agree well with the experimental observations. Electronic structure and chemical bonding in the uranium hexachloride species UCl6 (2-) to UCl6 are discussed as a function of the oxidation state of U.

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Section: Theoretical Resultsmentioning

confidence: 99%

Photoelectron spectroscopy and theoretical studies of gaseous uranium hexachlorides in different oxidation states: UCl6q− (q = 0–2)

Dau

Liu

et al. 2015

The Journal of Chemical Physics

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“…For chloride ions, Nikitenko et al and Bossé et al investigated the complex by dissolving [BMIm] 2 [UCl 6 ], [MeBu 3 N] 2 [UCl 6 ] (MeBu 3 N = methyltributylammonium), and [BuMe 2 Im] 2 [UCl 6 ] (BuMe 2 Im = 1‐butyl‐2,3‐dimethylimidazolium) in the related Tf 2 N − ‐based ionic liquids and proved that the octahedral structure of [UCl 6 ] 2− remained unchanged even without further addition of Cl − . For UO 2 2+ as a source of uranium, its interaction with Cl − was systematically studied by Gaillard group.…”

Section: Determination Of Actinide Speciation By Xafsmentioning

confidence: 99%

Exploring Actinide Materials Through Synchrotron Radiation Techniques

et al. 2014

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Synchrotron radiation (SR) based techniques have been utilized with increasing frequency in the past decade to explore the brilliant and challenging sciences of actinide‐based materials. This trend is partially driven by the basic needs for multi‐scale actinide speciation and bonding information and also the realistic needs for nuclear energy research. In this review, recent research progresses on actinide related materials by means of various SR techniques were selectively highlighted and summarized, with the emphasis on X‐ray absorption spectroscopy, X‐ray diffraction and scattering spectroscopy, which are powerful tools to characterize actinide materials. In addition, advanced SR techniques for exploring future advanced nuclear fuel cycles dealing with actinides are illustrated as well.

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“…This factor gave a renaissance to the use of ionic liquids in nonaqueous processing applications. Nikitenko and coworkers [48][49][50] investigated the spectroscopic and electrochemical aspects of U(IV)-hexachloro complexes in bmimNTf 2 , Bu 3 MeNNTf 2 hydrophobic ionic liquids. Due to large electrochemical window of RTIL, it was possible to study the oxidation and reduction behaviour, up to the metallic form.…”

Section: Electrochemical Behavior Of Lanthanides and Actinides In Ionmentioning

confidence: 99%

Electrochemical Behaviour of Actinides and Fission Products in Room-Temperature Ionic Liquids

Venkatesan

Rao

Nagarajan

et al. 2012

International Journal of Electrochemistry

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In the recent past, room-temperature ionic liquids (RTILs) are being explored for possible applications in nuclear fuel cycle. RTILs are being studied as an alternative to the diluent, n-dodecane (n-DD), in aqueous reprocessing and as possible substitute to high-temperature molten salts in nonaqueous reprocessing applications. This paper deals with the current status of the electrochemical research aimed at the recovery of actinides and fission products using room-temperature ionic liquid as medium. The dissolution of actinide and lanthanide oxides in ionic liquid media and the electrochemical behavior of the resultant solutions are discussed in this paper.

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Structural and spectroscopic studies of the complex [BuMeIm]2[UCl6] in the solid state and in hydrophobic room temperature ionic liquid [BuMeIm][Tf2N]

Cited by 47 publications

References 21 publications

Photoelectron spectroscopy and theoretical studies of gaseous uranium hexachlorides in different oxidation states: UCl6q− (q = 0–2)

Photoelectron spectroscopy and theoretical studies of gaseous uranium hexachlorides in different oxidation states: UCl6q− (q = 0–2)

Exploring Actinide Materials Through Synchrotron Radiation Techniques

Electrochemical Behaviour of Actinides and Fission Products in Room-Temperature Ionic Liquids

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