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000860529 1001_ $$0P:(DE-Juel1)130438$$aWilden, Andreas$$b0$$eCorresponding author$$ufzj
000860529 245__ $$aUnprecedented Inversion of Selectivity and Extraordinary Difference in the Complexation of Trivalent f-Elements by Diastereomers of a Methylated Diglycolamide
000860529 260__ $$aWeinheim$$bWiley-VCH$$c2019
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000860529 520__ $$aWhen considering f elements, solvent extraction is primarily used for the removal of lanthanides from ore and their recycling, as well as for the separation of actinides from used nuclear fuel. Understanding the complexation mechanism of metal ions with organic extractants, particularly the influence of their molecular structure on complex formation is of fundamental importance. Herein, we report an extraordinary (up to two orders of magnitude) change in the extraction efficiency of f elements with two diastereomers of dimethyl tetraoctyl diglycolamide (Me2‐TODGA), which only differ in the orientation of a single methyl group. Solvent extraction techniques, extended X‐ray absorption fine structure (EXAFS) measurements, and density functional theory (DFT) based ab initio calculations were used to understand their complex structures and to explain their complexation mechanism. We show that the huge differences observed in extraction selectivity results from a small change in the complexation of nitrate counter‐ions caused by the different orientation of one methyl group in the backbone of the extractant. The obtained results give a significant new insight into metal–ligand complexation mechanisms, which will promote the development of more efficient separation techniques
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000860529 536__ $$0G:(EU-Grant)323282$$aSACSESS - Safety of ACtinide Separation proceSSes (323282)$$c323282$$fFP7-Fission-2012$$x1
000860529 536__ $$0G:(EU-Grant)755171$$aGENIORS - GEN IV Integrated Oxide fuels recycling strategies (755171)$$c755171$$fNFRP-2016-2017-1$$x2
000860529 536__ $$0G:(DE-Juel1)jiek61_20181101$$aAtomistic modeling of radionuclide-bearing materials for safe management of high level nuclear waste. (jiek61_20181101)$$cjiek61_20181101$$fAtomistic modeling of radionuclide-bearing materials for safe management of high level nuclear waste.$$x3
000860529 536__ $$0G:(DE-Juel1)jara0038_20121101$$aInvestigation of the new materials for safe management of high level nuclear waste. (jara0038_20121101)$$cjara0038_20121101$$fInvestigation of the new materials for safe management of high level nuclear waste.$$x4
000860529 7001_ $$0P:(DE-Juel1)137024$$aKowalski, Piotr$$b1$$eCorresponding author$$ufzj
000860529 7001_ $$0P:(DE-Juel1)168262$$aKlass, Larissa$$b2$$ufzj
000860529 7001_ $$0P:(DE-Juel1)166363$$aKraus, Benjamin$$b3
000860529 7001_ $$0P:(DE-Juel1)176187$$aKreft, Fabian$$b4$$ufzj
000860529 7001_ $$0P:(DE-Juel1)130383$$aModolo, Giuseppe$$b5$$ufzj
000860529 7001_ $$0P:(DE-Juel1)158022$$aLi, Yan$$b6
000860529 7001_ $$0P:(DE-HGF)0$$aRothe, Jörg$$b7
000860529 7001_ $$0P:(DE-HGF)0$$aDardenne, Kathy$$b8
000860529 7001_ $$0P:(DE-HGF)0$$aGeist, Andreas$$b9
000860529 7001_ $$0P:(DE-HGF)0$$aLeoncini, Andrea$$b10
000860529 7001_ $$0P:(DE-HGF)0$$aHuskens, Jurriaan$$b11
000860529 7001_ $$0P:(DE-HGF)0$$aVerboom, Willem$$b12
000860529 773__ $$0PERI:(DE-600)1478547-x$$a10.1002/chem.201806161$$n21$$p5507-5513$$tChemistry - a European journal$$v25$$x0947-6539$$y2019
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