Separation of actinides from spent nuclear fuel: A review

Veliscek-Carolan, Jessica

doi:10.1016/j.jhazmat.2016.07.027

Cited by 288 publications

(135 citation statements)

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“…The actinocenes An(η-C 8 H 8 ) 2 As mentioned earlier, the electronic structure of actinides compounds can be highly complex mainly due to the strong electron correlation within the valence orbital manifold and the effects of relativity. One of the most typical example is the actinocene series.…”

Section: Assessing Covalency In Nitrogen Ligand-actinide Complexesmentioning

confidence: 99%

“…Historically, there is an industrial motivation for a better understanding of bonding in f-element complexes [1] due to the aim to separate trivalent actinides from trivalent lanthanides in advanced nuclear fuel cycles (see J. Veliscek-Carolan [2] for the experimental methods currently used to extract radioactive actinide elements from solutions of spent nuclear fuel). The areas of study have expanded in recent years with applications in the fields of nuclear toxicology [3][4][5][6], cancer therapy (e.g., the radioisotope 225 Ac of actinium is an alpha emitter useful for targeted radiotherapy [7]), analytical chemistry [8], and in basic research in structural chemistry and reaction mechanisms [9].…”

Section: Introductionmentioning

confidence: 99%

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Electronic structure theory to decipher the chemical bonding in actinide systems

Dognon

2017

Coordination Chemistry Reviews

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International audienceThe chemical bonding in actinide compounds is usually analysed by inspecting the shape and the occupation of the orbitals or by calculating bond orders which are based on orbital overlap and occupation numbers. However, this may not give a definite answer because the choice of the partitioning method may strongly influence the result possibly leading to qualitatively different answers. In this review, we summarized the state-of-the-art of methods dedicated to the theoretical characterisation of bonding including charge, orbital, quantum chemical topology and energy decomposition analyses. This review is not exhaustive but aims to highlight some of the ways opened up by recent methodological developments. Various examples have been chosen to illustrate this progress

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Section: Assessing Covalency In Nitrogen Ligand-actinide Complexesmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Electronic structure theory to decipher the chemical bonding in actinide systems

Dognon

2017

Coordination Chemistry Reviews

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“…[17,18] The separation of actinides from spent nuclear fuel through complex formation remains an important field of research as well. [19] Following the discoveryo fu ranocene in 1968, [20] and thorocene in 1969, [21] the actinocene sandwich complexes of An with the ligand C 8 H 8 2À (cyclooctatatradienyl, COT) have taken their place among the most studied An complexes,b oth experimentally and theoretically,d ue to their interesting bonding features. [5,[22][23][24][25] X-ray absorption near-edge structure (XANES) spectroscopy has becomea ni mportantt ool for studying metal-ligand interaction in general, and An-ligand interactions in particular.…”

Section: Introductionmentioning

confidence: 99%

Ab Initio Analysis of Metal–Ligand Bonding in An(COT)₂ with An=Th, U in Their Ground‐ and Core‐Excited States

Ganguly

Sergentu

Autschbach

2020

Chemistry A European J

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Relativistic multireference ab initio wave function calculations with the restricted active space second-order perturbation theory (RASPT2) were performed on thorocene and uranocene to determine the actinide N 4,5 -edge and carbon K-edge X-ray absorption near-edge structure (XANES) intensities andt he metal-ligand orbitalm ixingi nt he ground state and core-excited states. Calculated spectrali ntensities show very good agreement with the experiments and therefore allow detailed and unambiguous assignment of the observed spectral features. f-type covalent bonding or antibonding interactions are observed for thorocene in the core-excited states, thoughn ot in the ground state. This is because the molecular orbital of f symmetry,w hich is the in-phasec ombination of the ligand L f and the Th 5f f orbitals, can be populated with electrons in core-excited states, whereas it is essentially unoccupied in the ground state. For uranocene, the XANES spectra do not reveal much information beyondm ultipletb roadening, despite the presence of distinct peaks in the spectra. Every core-excited peak is best characterized by its own set of bond orbitals, as the excited state covalency is clearly different from the ground state covalency.[a] Dr.

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“…Liquid-liquid extraction is an effective separation method for the purification of valuable metals [1][2][3], removal of toxic metals [4,5], and recovery of fission products [6][7][8][9]. The efficiency of metal separation with liquid-liquid extraction depends on the extractant.…”

Section: Introductionmentioning

confidence: 99%

A Comprehensive Extraction Study Using a Mono-alkylated Diglycolamic Acid Extractant: Comparison Between a Secondary Amide Group and a Tertiary Amide Group

Sugita

Fujiwara

Okamura

et al. 2017

SERDJ

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The extraction characteristics of N-dodecyldiglycolamic acid (C 12 DGAA), with a secondary amide group, for 56 metal ions have been investigated, and compared with those of N,N-dioctyldiglycolamic acid (DODGAA) with a tertiary amide group. C 12 DGAA is capable of quantitative transfer for a variety of metal ions through a proton-exchange reaction, and the extraction behavior as a function of the aqueous-phase pH is similar for C 12 DGAA and DODGAA. Compared with DODGAA, C 12 DGAA has a poor extraction performance and separation ability for rare-earth metal ions, except for Sc(III). However, C 12 DGAA tended to provide better extraction for relatively small-sized metal ions than DODGAA. In addition, it was found that C 12 DGAA enables the selective removal of Hg(II) from aqueous solutions containing various divalent metal ions (Hg(II), Pb(II), Cu(II), Cd(II), Zn(II), Mn(II), Co(II), and Ni(II)).

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Separation of actinides from spent nuclear fuel: A review

Cited by 288 publications

References 121 publications

Electronic structure theory to decipher the chemical bonding in actinide systems

Electronic structure theory to decipher the chemical bonding in actinide systems

Ab Initio Analysis of Metal–Ligand Bonding in An(COT)₂ with An=Th, U in Their Ground‐ and Core‐Excited States

A Comprehensive Extraction Study Using a Mono-alkylated Diglycolamic Acid Extractant: Comparison Between a Secondary Amide Group and a Tertiary Amide Group

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Separation of actinides from spent nuclear fuel: A review

Cited by 288 publications

References 121 publications

Electronic structure theory to decipher the chemical bonding in actinide systems

Electronic structure theory to decipher the chemical bonding in actinide systems

Ab Initio Analysis of Metal–Ligand Bonding in An(COT)2 with An=Th, U in Their Ground‐ and Core‐Excited States

A Comprehensive Extraction Study Using a Mono-alkylated Diglycolamic Acid Extractant: Comparison Between a Secondary Amide Group and a Tertiary Amide Group

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Ab Initio Analysis of Metal–Ligand Bonding in An(COT)₂ with An=Th, U in Their Ground‐ and Core‐Excited States