Natallia Torapava

MAX IV Laboratory

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Ingmar Persson

Swedish University of Agricultural Sciences

D. Lundberg

Swedish University of Agricultural Sciences

M. Yu. Skripkin

St Petersburg University

L. Eriksson

University of Oxford

D. Yu. Davydov

Joint Institute for Power and Nuclear Research

АВ

А. В. Радкевич

Joint Institute for Power and Nuclear Research

Clemens Walther

Leibniz University Hannover

Mats Johnsson

Stockholm University

Henrik Svengren

Stockholm University

Christian Ekberg

Chalmers University of Technology

Cooperative Institutions

Stockholm University

Forschungszentrum Jülich

Chalmers University of Technology

Uppsala University

Centre National de la Recherche Scientifique

Stadtwerke Jülich (Germany)

Karlsruhe Institute of Technology

Waste Management (United States)

Paul Scherrer Institute

European Synchrotron Radiation Facility

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CCDC 789616: Experimental Crystal Structure Determination

The Cambridge Structural Database (2011)

Ali Abbasi M. Yu. Skripkin L. Eriksson Natallia Torapava

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

10.5517/ccvhnhg

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CCDC 791074: Experimental Crystal Structure Determination

The Cambridge Structural Database (2011)

Natallia Torapava Ingemar Persson L. Eriksson D. Lundberg

10.5517/ccvk5j2

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Direct Synthesis of Two Inorganic Catalysts on Carbon Fibres for the Electrocatalytic Oxidation of Water

Chemistry - A European Journal (2016)

Henrik Svengren Kjell Jansson Jêkabs Grîns Wei Wan Natallia Torapava

Two electrodes for anodic water oxidation made by direct synthesis of inorganic catalysts onto conductive carbon fibre sheets are evaluated. As catalysts two Co- and Sb-containing phases were tested, that is, Co3Sb4O6F6 and the new compound CoSbO4. The compounds express large differences in their morphology: CoSbO4 grows as thin needles whereas Co3Sb4O6F6 grows as larger facetted crystals. Despite the smaller surface area the latter compound shows a better catalytic performance. When the compound Co3Sb4O6F6 was used it gave a low increase of +0.028 mV h−1 at an overpotential of η=472 mV after 10 h and a stability of +0.48 mV h−1 at an overpotential of η=488 mV after 60 h. The leakages of Co and Sb were negligible and only <0.001 at % Co and approximately 0.02 at % Sb were detected in the electrolyte.

Overpotential

Carbon fibers

10.1002/chem.201603085

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CCDC 789614: Experimental Crystal Structure Determination

The Cambridge Structural Database (2011)

A. Abbasi M. Yu. Skripkin L. Eriksson Natallia Torapava

10.5517/ccvhnfd

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A Coordination Chemistry Study of Solvated Thorium(IV) Ions in Two Oxygen‐Donor Solvents

European Journal of Inorganic Chemistry (2011)

Natallia Torapava D. Lundberg Ingmar Persson

Abstract The structures of the dimethyl sulfoxide (dmso) and N , N′ ‐dimethylpropyleneurea (dmpu) solvated thorium(IV) ions have been studied in solution by extended X‐ray absorption fine structure (EXAFS), and the structure of the solid oxonium bis[nonakis(κ O ‐dimethyl sulfoxide)]thorium(IV) trifluoromethanesulfonate dihydrate, (H 3 O)[Th((CH 3 ) 2 SO) 9 ] 2 (CF 3 SO 3 ) 9 · 2H 2 O ( 1 ) has been determined by single‐crystal X‐ray diffraction and EXAFS. Compound 1 was crystallized by evaporating a saturated dmso solution. It consists of two individual nonakis(κ O ‐dimethyl sulfoxide)thorium(IV) units, both of which have a tricapped trigonal prismatic configuration, as also found in nonakis(dimethyl sulfoxide)thorium(IV) perchlorate previously reported. Mean Th–O bond lengths of 2.47 and 2.43 Å are found for the two structural units, respectively, for which the differences may be explained by differences in occupancy and temperature factors. The EXAFS data of 1 revealed mean Th–O and S–O bond lengths of 2.449(3) and 1.525(3) Å, respectively, and a Th–O–S bond angle of 135.2(5)° to give a Th ··· S distance of 3.665(7) Å. In dmso solution, the mean Th–O and S–O bond lengths are 2.447(3) and 1.534(3) Å, respectively, the Th–O–S bond angle is 133.5(5)°, and there is a Th ··· S distance of 3.672(7) Å. The Th–O bond‐length distribution is somewhat asymmetric in both samples with R max values of 2.424 and 2.422 Å for 1 and solution, respectively. In dmpu solution, the Th–O and C–O bond lengths are 2.404(5) and 1.264(2) Å, respectively, and there is a Th–O–C angle of 157.1(5)° to give a Th ··· C distance of 3.594(7) Å. The observed Th–O bond length indicates strongly that thorium(IV) is eight‐coordinate in dmpu.

Coordination number

Sulfoxide

Molecular geometry

10.1002/ejic.201100823

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Hydration and Hydrolysis of Thorium(IV) in Aqueous Solution and the Structures of Two Crystalline Thorium(IV) Hydrates

Inorganic Chemistry (2009)

Natallia Torapava Ingmar Persson Lars Eriksson D. Lundberg

Solid octaaqua(κ2O-perchlorato)thorium(IV) perchlorate hydrate, [Th(H2O)8(ClO4)](ClO4)3·H2O, 1, and aquaoxonium hexaaquatris(κO-trifluoromethanesulfonato)thorium(IV) trisaquahexakis(κO-trifluoromethanesulfonato)thorinate(IV), H5O2[Th(H2O)6(OSO2CF3)3][Th(H2O)3(OSO2CF3)6], 2, were crystallized from concentrated perchloric and trifluoromethanesulfonic acid solutions, respectively. 1 adopts a severely distorted tricapped trigonal prismatic configuration with an additional oxygen from the perchlorate ion at a longer distance. 2 consists of individual hexaaquatris(κO-trifluoromethanesulfonato)thorium(IV) and trisaquahexakis(κO-trifluoromethanesulfonato)thorinate(IV) ions and an aquaoxonium ion bridging these two ions through hydrogen bonding. The hydrated thorium(IV) ion is nine-coordinated in aqueous solution as determined by extended X-ray absorption fine structure (EXAFS) and large angle X-ray scattering (LAXS). The LAXS studies also showed a second hydration sphere of about 18 water molecules, and traces of a 3rd hydration sphere. Structural studies in aqueous solution of the hydrolysis products of thorium(IV) have identified three different types of hydrolysis species: a μ2O-hydroxo dimer, [Th2(OH)2(H2O)12]6+, a μ2O-hydroxo tetramer, [Th4(OH)8(H2O)16]8+, and a μ3O-oxo hexamer, [Th6O8(H2O)n]8+. Detailed structures of these three hydrolysis species are given. A compilation of reported solid state structures of actinoid(IV) compounds with oxygen donor ligands show a strong correlation between the An−O bond distance and the coordination number. The earlier reported U−O bond distance in the hydrated uranium(IV) ion in aqueous solution, confirmed in this study, is related to nine-coordination. The hydrated tri- and tetravalent actinoid ions in aqueous solution all seem to be nine-coordinated. The trivalent ions show a significant difference in bond distance to prismatic and capping water molecules in assumed tricapped trigonal prismatic configuration, while the tetravalent ions seem to form more regular structures, probably because of higher polarization.

Perchlorate

Coordination sphere

Coordination number

10.1021/ic901763s

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Citations (111)

Formation of a heteronuclear hydrolysis complex in the ThIV–FeIII system

Dalton Transactions (2012)

Natallia Torapava А. В. Радкевич Ingmar Persson D. Yu. Davydov Lars Eriksson

The speciation in the mixed ThIV–FeIII system has been studied in aqueous solution in the pH range of 2.0–4.8. In the individual systems iron(III) and thorium(IV) hydrolyze easily and hydrolysis products precipitate at approximately pH ≥ 2.0 and 4.0, respectively, at the metal concentrations used in this study, 0.02–0.05 mol dm−3. In the mixed ThIV–FeIII system precipitation of ferrihydrite takes place after months of storage at low pH values, 2.0 (six-line ferrihydrite) and 2.3 (two-line ferrihydrite), as identified by X-ray powder diffraction. In the pH range 2.9–4.5 no precipitation was observed after 24 months. Two thorium(IV)–iron(III) solutions with pH = 2.9, CTh = 0.02 and 0.05 mol dm−3 and CFe = 0.02 mol dm−3, were studied by extended X-ray absorption fine structure, EXAFS, using the Fe K and Th L3 edges, and a third solution with pH = 2.9 and CTh = CFe = 0.40 mol dm−3 by large angle X-ray scattering, LAXS, to determine the structure of the predominating species. A heteronuclear hydrolysis complex with the composition [Th2Fe2(μ2-OH)8(H2O)12]6+ is proposed to form in solution, with Th⋯Th, Th⋯Fe and Fe⋯Fe distances of 3.94(2) and 3.96(2), 3.41(3) and 3.43(2), 3.04(2) and 3.02(4) Å, as determined by EXAFS and LAXS, respectively.

Ferrihydrite

Heteronuclear molecule

Coprecipitation

10.1039/c2dt30058c

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Citations (4)

ChemInform Abstract: Composition and Structure of Polynuclear Chromium(III) Hydroxo Complexes.

ChemInform (2009)

Natallia Torapava А. В. Радкевич D. Yu. Davydov Andrei Titov Ingmar Persson

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.

10.1002/chin.200951009

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A comprehensive study on iodine uptake by selected LDH phases via coprecipitation, anionic exchange and reconstruction

Journal of Radioanalytical and Nuclear Chemistry (2015)

Luis Iglesias Pérez Clemens Walther F. Medina Alex Hölzer A. Neumann

Iodate

Coprecipitation

Layered double hydroxides

10.1007/s10967-015-4285-0

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Citations (11)

Immobilization of long-lived iodine after incorporation into apatitte and layered double hydroxide matrices

Natallia Torapava Clemens Walther

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