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1. Effect of ruthenium metallic particles on the kinetics of dissolution of UO2 in nitric acid

Author

Kaczmarek, Thibault, Szenknect, Stephanie, Claparede, Laurent, Cabie, Martiane, Le Goff, Xavier, Mesbah, Adel, Podor, Renaud, Dacheux, Nicolas, Interfaces de Matériaux en Evolution (LIME), Institut de Chimie Séparative de Marcoule (ICSM - UMR 5257), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Montpellier (UM)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM), Université de Montpellier (UM)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Montpellier (UM)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM), Université de Montpellier (UM), Centre Pluridisciplinaire de Microscopie Electronique et de Microanalyse (AMU CP2M), Aix Marseille Université (AMU), and Etude de la Matière en Mode Environnemental (L2ME)

Subjects
[CHIM.INOR]Chemical Sciences/Inorganic chemistry
Abstract

International audience; UO2 pellets containing 3 mol. % of Ru were prepared then characterized. The speciation, the morphology and the spatial distribution of Ru in the sintered samples were determined. These samples were submitted to dissolution tests in nitric and hydrochloric acids, as well as UO2 pellets in the presence and in absence of Ru-metal particles in solution. The evolution of the elemental concentrations in solution was followed, then the residues of dissolution were characterized. The presence of metallic particles of Ru incorporated in the pellet increased significantly the dissolution rate of UO2, both in nitric and hydrochloric media. A mechanism was then proposed to explain their influence on the kinetics of dissolution of UO2 in nitric acid solutions.

Published
2022

2. Phase change luminescent gold-thiolate coordination polymers

Author

Hawila, S., Mesbah, Adel, Demessence, A., Gautier, R., and IRCELYON, ProductionsScientifiques

Subjects
[CHIM.CATA] Chemical Sciences/Catalysis, [SDE.ES] Environmental Sciences/Environmental and Society
Abstract

Keywords: coordination polymer, gold-thiolate, phase change, photoemission.To meet the exponentially growing demand for data recording, various information storage technologies are being developed. Phase Change Random Access Memory (PCRAM) is known to be very promising to establish itself as the next generation of non-volatile memory due to its excellent operating speeds and endurance. The principle of these PCRAM, is based on the reversible transition with the temperature of a material between its amorphous and crystalline phases that allows writing and erasure; reading exploiting the contrast of resistivity between these two phases. The materials used for this type of storage are chalcogenides, however, these inorganic systems still have limitations, including high transition temperatures, around 600°C, and limited miniaturization due to their intrinsic friability.1 In this presentation, we will use Phase Change Coordination Polymers (PCCPs) as an alternative to chalcogenides. The PCCPs we are using are gold-thiolate, [Au(SR)]n, made of thiolate ligands and d10 Au(I) to have highly stable and photoluminescent solids.2,3 In this presentation, we will discuss the synthesis of new compounds: [Au(p-SPhX)]n (X = F, Cl, Br) and the effect of the halogen atoms on the 1D or 2D structures and the resulting photophysical properties of the CPs. Then, we will focus on [Au(p-SPhF)]n which shows a great ability for cyclic amorphous-to-crystalline phase change associated with different emission (Fig.1).

Published
2022

3. Size vs. Local Structure Relationship for ThO2 and PuO2 Nanoparticles

Author

Virot, Matthieu, Bonato, Laura, Dumas, Thomas, Mesbah, Adel, Dalodiere, Elodie, Dieste Blanco, Oliver, Wiss, Thierry, Le Goff, X., Odorico, Michaël, Prieur, Damien, Rossberg, André, Venault, Laurent, Dacheux, Nicolas, Moisy, Philippe, Nikitenko, Sergey I., CEA, Contributeur MAP, Sonochimie dans les Fluides Complexes (LSFC), Institut de Chimie Séparative de Marcoule (ICSM - UMR 5257), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS), Institut des Sciences et technologies pour une Economie Circulaire des énergies bas carbone (ISEC), CEA-Direction des Energies (ex-Direction de l'Energie Nucléaire) (CEA-DES (ex-DEN)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA), Interfaces de Matériaux en Evolution (LIME), Etude de la Matière en Mode Environnemental (L2ME), Helmholtz-Zentrum Dresden-Rossendorf (HZDR), European Synchroton Radiation Facility [Grenoble] (ESRF), and Département de recherche sur les procédés pour la mine et le recyclage du combustible (DMRC)

Subjects
[CHIM.MATE] Chemical Sciences/Material chemistry, [CHIM.ORGA]Chemical Sciences/Organic chemistry, [CHIM.RADIO] Chemical Sciences/Radiochemistry, [CHIM.CRIS]Chemical Sciences/Cristallography, [CHIM.MATE]Chemical Sciences/Material chemistry, [CHIM.CRIS] Chemical Sciences/Cristallography, [CHIM.ORGA] Chemical Sciences/Organic chemistry, [CHIM.RADIO]Chemical Sciences/Radiochemistry
Abstract

International audience; Plutonium oxide nanoparticles constitute a hot topic in modern actinide science due to their past release in the environment (e.g. nuclear tests or accident) but also to their potential contribution in industrial processes (e.g. high burn-up structures, fuel synthesis).[1-3] Nanoparticles and related nanomaterials often exhibit interesting or unexpected properties when shrinking in size due to their increasing surface contribution (S/V ratio). Nevertheless, few results have been described in the literature for actinide nanoparticles. A better description of the speciation and formation mechanisms for these nanoscale objects represent a challenging topic that could contribute in the understanding and predictive modelling of their behaviour and reactivity, particularly useful for environmental purposes.[4-6] This presentation describes the synthesis and relevant synchrotron characterization of PuO2 and ThO2 nanoparticles exhibiting different sizes that were prepared using various approaches. A thorough investigation of these nanomaterials with XRD, HR-TEM and EXAFS spectroscopy evidenced strong similarities for both actinide oxides at the nanoscale. A strong correlation between the size of the nanoparticles and their local structure has been established thus eliminating the potential contribution of other oxidation states in the crystalline structure and evidencing a size-dependent local structural disorder driven by a nanoparticle surface effect.

Published
2021

4. Design of self-dessicating binders using calcium sulfoaluminate cement: influence of the cement composition and sulfate source

Author

Cau Dit Coumes, Céline, Farcy, Oriane, Antonucci, Pascal, Champenois, Jean-Baptiste, Lambertin, David, Mesbah, Adel, Département de recherche sur les technologies pour l'enrichissement, le démantèlement et les déchets (DE2D), CEA-Direction des Energies (ex-Direction de l'Energie Nucléaire) (CEA-DES (ex-DEN)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA), Interfaces de Matériaux en Evolution (LIME), Institut de Chimie Séparative de Marcoule (ICSM - UMR 5257), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA), Département de recherche sur les Procédés et Matériaux pour les Environnements complexes (DPME), and Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS)

Subjects
thermodynamics, [PHYS.NUCL]Physics [physics]/Nuclear Theory [nucl-th], hydrated cement, sulfate-based cement, [PHYS.NEXP]Physics [physics]/Nuclear Experiment [nucl-ex]
Abstract

International audience; Calcium sulfoaluminate (CSA) cements with high ye’elimite content are of interest for the production of selfdesiccating binders. In this work, the influence of cement composition and calcium sulfate source on the content of water bound by hydration was investigated, with the future goal of designing non-expansive materials with a dry internal environment. A thermodynamic approach was used first. Ten cement compositions were prepared by blending a CSA clinker comprising 54·3% ye’elimite and 29·1% belite with anhydrite and calcium oxide, respectively, within the ranges 80–95%, 5–20% and 0–15%. Cement suspensions (water/cement ratio (w/c) = 6) were maintained under stirring at 20°C for 1 month. The cement comprising 80% clinker and 20% anhydrite led to the highest contents of ettringite and bound water, which was simulated well by thermodynamic calculations. A kinetic study was then performed on cement pastes (w/c = 0·5 or 0·6), with the cement comprising 80% clinker and 20% calcium sulfate (introduced as anhydrite or gypsum). The addition of gypsum, which dissolves faster than anhydrite, led to the rapid formation of a dense microstructure, which tended to limit the progress of hydration at later age. With anhydrite, higher hydration degrees were reached and specimens cured in a wet or dry environment exhibited smaller volume changes.

Published
2019

5. Synthesis and Crystal Structure of Cs2U2(P2Se9)(Se2)2

Author

Mesbah, Adel, Prakash, Jai, Beard, Jessica, Lebègue, Sébastien, Ibers, James, Northwestern University [Evanston], Interfaces de Matériaux en Evolution (LIME), Institut de Chimie Séparative de Marcoule (ICSM - UMR 5257), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA), Cristallographie, Résonance Magnétique et Modélisations (CRM2), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), IMPACT N4S, ANR-15-IDEX-0004,LUE,Isite LUE(2015), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Physique et Chimie Théoriques (LPCT), and Institut de Chimie du CNRS (INC)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS)

Subjects
[CHIM.CRIS]Chemical Sciences/Cristallography, [CHIM]Chemical Sciences, [CHIM.MATE]Chemical Sciences/Material chemistry, [CHIM.RADIO]Chemical Sciences/Radiochemistry, ComputingMilieux_MISCELLANEOUS
Abstract

International audience

Published
2018

6. Effect of fission products on uranium dioxide dissolution

Author

Cordara, T., Szenknect, Stephanie, Claparede, Laurent, Lavalette, C., Mesbah, Adel, Podor, Renaud, Dacheux, Nicolas, Interfaces de Matériaux en Evolution (LIME), Institut de Chimie Séparative de Marcoule (ICSM - UMR 5257), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA), AREVA NC, Groupe AREVA, Etude de la Matière en Mode Environnemental (L2ME), amplexor, amplexor, and Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS)

Subjects
[PHYS.NUCL] Physics [physics]/Nuclear Theory [nucl-th], uranium, dioxide, [PHYS.NUCL]Physics [physics]/Nuclear Theory [nucl-th], [PHYS.NEXP] Physics [physics]/Nuclear Experiment [nucl-ex], fission products, dissolution, Effect, [PHYS.NEXP]Physics [physics]/Nuclear Experiment [nucl-ex], ComputingMilieux_MISCELLANEOUS
Abstract

International audience

Published
2017

7. Study of the hydrothermal synthesis of ThSiO4, USiO4 and CeSiO4 aiming at determining the conditions of PuSiO4 formation

Author

Estevenon, P., Welcomme, E., Szenknect, Stephanie, Mesbah, Adel, Moisy, P., Poinssot, C., Dacheux, N., CEA-Direction des Energies (ex-Direction de l'Energie Nucléaire) (CEA-DES (ex-DEN)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA), Institut de Chimie Séparative de Marcoule (ICSM - UMR 5257), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA), and Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS)

Subjects
silicates, [PHYS.NUCL]Physics [physics]/Nuclear Theory [nucl-th], USiO4, CeSiO4, ThSiO4, PuSiO4, [PHYS.NEXP]Physics [physics]/Nuclear Experiment [nucl-ex], syntheses hydrothermales
Abstract

International audience; Thorite, ThSiO4, and coffinite, USiO4, are two naturally occurring phases which were extensively studied because of their abundance in the environment [1]. The supposed formation mechanism of natural coffinite implies the alteration of oxide phases in reductive and silica rich media. It rose important questions about the actinides' behaviour consequently to the alteration of spent nuclear fuel under geologic repository conditions [2]. Indeed, silicate compounds' formation has been suspected for Pu-containing precipitates observed in basic media and for plutonium borosilicate glasses altered by vapour hydration. However, even if PuSiO4 has already been hydrothermally synthesized once [3], the favourable conditions for the formation of this phase and its stability domain are not well constrained. To provide more data on the Pu system and to determine suitable synthesis conditions, three surrogates, CeSiO4, ThSiO4 and USiO4, which crystallize in the same zircon type-structure (space group I41/amd) [3,4] than PuSiO4, were investigated. Optimized conditions of synthesis were determined for these three silicate-based systems by varying several experimental parameters so that they could be transposed to the plutonium system. [1] A. Mesbah et al., Inorganic Chemistry, 54, 6687-6696, 2015 [2] J. Janeczek, R. Ewing, Materials Research Society, Symposium Proceedings, 257, 497-504, 1992 [3] C. Keller, Nukleonik, 5, 41-48, 1963 [4] J. Skakle et al., Powder Diffraction, 15, 234-238, 2000

Published
2017

8. Optimisation de la synthèse de la thorite, thsio4, par voie hydrothermale en vue d'une transposition au pusio4

Author

Estevenon, P., Welcomme, E., Szenknect, Stephanie, Mesbah, Adel, Moisy, P., Dacheux, Nicolas, Poinssot, C., CEA-Direction des Energies (ex-Direction de l'Energie Nucléaire) (CEA-DES (ex-DEN)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA), Interfaces de Matériaux en Evolution (LIME), Institut de Chimie Séparative de Marcoule (ICSM - UMR 5257), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA), amplexor, amplexor, and Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS)

Subjects
[PHYS.NUCL] Physics [physics]/Nuclear Theory [nucl-th], synthèse hydrothermale, plutonium, [PHYS.NUCL]Physics [physics]/Nuclear Theory [nucl-th], [PHYS.NEXP] Physics [physics]/Nuclear Experiment [nucl-ex], thorite, Silicate, [PHYS.NEXP]Physics [physics]/Nuclear Experiment [nucl-ex], thorium
Abstract

National audience; Les études réalisées sur la thorite, ThSiO4, et la coffinite, USiO4 [1,2], deux espèces naturelles relativement abondantes, ont amené à penser que la phase analogue en plutonium (IV), PuSiO4 serait susceptible de se former dans le cadre d’un stockage direct en milieu géologique profond des déchets nucléaires [3], mais également en conditions accidentelles par interaction entre le corium et des matériaux d’environnement riches en silicium [4]. Cependant, bien que la synthèse de PuSiO4 par voie hydrothermale ait été reportée [5], le protocole de synthèse de cette phase est peu précis et aucune proposition de mécanisme n’a été présentée. De plus, peu de caractérisation ont été menées sur ce solide et il n’existe aucune donnée thermodynamique expérimentale permettant d’étayer véritablement la formation de cette phase dans les conditions reportées.

Published
2016

9. 133 Cs and 23 Na MAS NMR Spectroscopy of Molybdate Crystallization in Model Nuclear Glasses

Author

Kroeker, Scott, Schuller, Sophie, Wren, John, Greer, Brandon, Mesbah, Adel, Jantzen, C., Department of Chemistry, University of Manitoba [Winnipeg], Service d'Etudes du Comportement des Matériaux de Conditionnement (SECM), Commissariat à l'énergie atomique et aux énergies alternatives (CEA), Interfaces de Matériaux en Evolution (LIME), Institut de Chimie Séparative de Marcoule (ICSM - UMR 5257), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA), and Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS)

Subjects
Materials science, Sodium molybdate, Sodium, Analytical chemistry, chemistry.chemical_element, 02 engineering and technology, Molybdate, [CHIM.INOR]Chemical Sciences/Inorganic chemistry, 01 natural sciences, law.invention, chemistry.chemical_compound, law, 0103 physical sciences, Materials Chemistry, [CHIM]Chemical Sciences, Crystallization, ComputingMilieux_MISCELLANEOUS, 010302 applied physics, Borosilicate glass, Nuclear magnetic resonance spectroscopy, [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, Crystallography, Devitrification, chemistry, Ceramics and Composites, 0210 nano-technology, Hydrate, [CHIM.RADIO]Chemical Sciences/Radiochemistry
Abstract

Sodium borosilicate base glasses modeled on French nuclear waste materials were prepared to test the dependence of crystallization product quantity and distribution on cesium- and molybdenum-loading and glass cooling rate. Scanning electron microscopy shows the presence of micrometer-sized domains of Mo-rich crystalline precipitates. X-ray diffraction patterns are complex but reveal the presence of sodium molybdates and CsNaMoO4·2H2O. 133Cs and 23Na magic-angle spinning NMR spectroscopy exhibit distinct peaks for glassy and crystalline phases which can be quantified to obtain the identities of the individual compounds that are formed as well as the fractions of these nuclei in particular crystalline phases. In these model systems, 1 mol% Mo can be entirely incorporated into the glassy network whereas 2.5 and 5 mol% Mo produce significant quantities of crystalline phases, with little dependence on cooling rate. Cesium content appears to have a weak influence on crystallization behavior. Sodium molybdate and sodium-cesium molybdate hydrate are the dominant devitrification phases in all cases.

Published
2016

10. Syntheses and Crystal Structures of BaAgTbS3 , BaCuGdTe3 , BaCuTbTe3 , BaAgTbTe3 , and CsAgUTe3

Author

Prakash, Jai, Mesbah, Adel, Beard, Jessica, Ibers, James, Northwestern University [Evanston], Interfaces de Matériaux en Evolution (LIME), Institut de Chimie Séparative de Marcoule (ICSM - UMR 5257), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA), and Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS)

Subjects
[CHIM.CRIS]Chemical Sciences/Cristallography, [CHIM]Chemical Sciences, [CHIM.INOR]Chemical Sciences/Inorganic chemistry, [CHIM.RADIO]Chemical Sciences/Radiochemistry, ComputingMilieux_MISCELLANEOUS
Abstract

International audience

Published
2015

11. Synthesis and crystal structure of Cs2U3Se7

Author

Mesbah, Adel, Oh, George, Bellott, Brian, Ibers, James, and mesbah, adel

Subjects
[CHIM.INOR] Chemical Sciences/Inorganic chemistry, [CHIM] Chemical Sciences, [CHIM.RADIO] Chemical Sciences/Radiochemistry, [CHIM.CRIS] Chemical Sciences/Cristallography, ComputingMilieux_MISCELLANEOUS
Published
2013

12. Syntheses and crystal structures of three barium uranium sulfides

Author

Mesbah, Adel, Ibers, James, and mesbah, adel

Subjects
[CHIM.INOR] Chemical Sciences/Inorganic chemistry, [CHIM] Chemical Sciences, [CHIM.RADIO] Chemical Sciences/Radiochemistry, [CHIM.CRIS] Chemical Sciences/Cristallography, ComputingMilieux_MISCELLANEOUS
Published
2013

13. Compact Metal-Organic Frameworks for Anti-Corrosion Applications: New Binary Linear Saturated Carboxylates of Zinc

Author

Mesbah, Adel, Jacques, Sophie, Rocca, Emmanuel, François, Michel, Steinmetz, Jean, Université Henri Poincaré - Nancy 1 (UHP), Laboratoire de chimie du solide minéral (LCSM), Université Paul Verlaine - Metz (UPVM)-Université Henri Poincaré - Nancy 1 (UHP)-Centre National de la Recherche Scientifique (CNRS), Institut Jean Lamour (IJL), Institut de Chimie du CNRS (INC)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Laboratoire des colloïdes, verres et nanomatériaux (LCVN), Université Montpellier 2 - Sciences et Techniques (UM2)-Centre National de la Recherche Scientifique (CNRS), and mesbah, adel

Subjects
[CHIM.INOR] Chemical Sciences/Inorganic chemistry, [CHIM] Chemical Sciences, [CHIM.CRIS]Chemical Sciences/Cristallography, [CHIM]Chemical Sciences, [CHIM.CRIS] Chemical Sciences/Cristallography, [CHIM.INOR]Chemical Sciences/Inorganic chemistry, ComputingMilieux_MISCELLANEOUS
Abstract

International audience

Published
2011

14. Evolutions structurales et microstructurales du verre lors de l'incorporation de déchets nucléaires

Author

Boué, E., Schuller, Sophie, Mesbah, Adel, Charpentier, Thibault, M.J., Toplis, Service d'Etudes du Comportement des Matériaux de Conditionnement (SECM), Commissariat à l'énergie atomique et aux énergies alternatives (CEA), Interfaces de Matériaux en Evolution (LIME), Institut de Chimie Séparative de Marcoule (ICSM - UMR 5257), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS), Laboratoire Structure et Dynamique par Résonance Magnétique (LCF) (LSDRM), Nanosciences et Innovation pour les Matériaux, la Biomédecine et l'Energie (ex SIS2M) (NIMBE UMR 3685), Institut Rayonnement Matière de Saclay (IRAMIS), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut Rayonnement Matière de Saclay (IRAMIS), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Palacin, Serge, Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Institut Rayonnement Matière de Saclay (IRAMIS), and Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)

Subjects
[CHIM.MATE] Chemical Sciences/Material chemistry, [CHIM.MATE]Chemical Sciences/Material chemistry, ComputingMilieux_MISCELLANEOUS
Abstract

International audience

Published
2014

15. Syntheses, Crystal Structures, Transport Properties, and Theoretical Studies of Five Members of the MAn(2)Q(5) Family: SrU2S5, BaU2Se5, PbU2S5, BaTh2S5, and BaU2Te5

Author

Prakash, Jai, Tarasenko, Mariya S., Mesbah, Adel, Lebègue, Sébastien, Malliakas, Christos D., Ibers, James A., Northwestern University [Evanston], Interfaces de Matériaux en Evolution (LIME), Institut de Chimie Séparative de Marcoule (ICSM - UMR 5257), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS), Cristallographie, Résonance Magnétique et Modélisations (CRM2), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), and Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)

Subjects
[CHIM.CRIS]Chemical Sciences/Cristallography
Abstract

International audience; Five compounds of the MAn(2)Q(5) family, namely, SrU2S5, BaU2Se5, PbU2S5, BaTh2S5, and BaU2Te5, have been synthesized by high-temperature solid-state reactions. The crystal structures of these compounds were determined by single-crystal X-ray diffraction studies. SrU2S5, BaU2Se5, PbU2S5, and BaTh2S5 crystallize in the PbU2Se5 structure type in space group C(2)h(5)P(21)/c of the monoclinic system, whereas BaU2Te5 adopts the (NH4)Pb2Br5 structure type in space group D(4)h(18)I(4/mcm) of the tetragonal system. There are no QQ bonds in these structures, so the formulas charge balance as M2+(An(2)(4+)Q(5)(2). The An atoms in the monoclinic structure are seven- or eight-coordinated by Q atoms; the U atoms in the tetragonal structure are eight-coordinated. The M atoms in the monoclinic structure are coordinated to either eight or nine Q atoms, depending on the monoclinic beta angle; the M atoms in the tetragonal structure are 10-coordinated. Resistivity studies on single crystals of SrU2S5, BaU2Se5, and PbU2S5 show metallic behavior with resistivities of 0.24, 10, and 3.3 mO.cm, respectively, at 298 K. Spin-polarized density functional theory in the generalized gradient approximation applied to the four U compounds suggests that they are ferromagnetic. In each compound, the density of states of one spin channel is found to be finite at the Fermi level, whereas there is a gap in the density of states of the other spin channel; this is characteristic of a half-metal.

Published
2014

16. Synthesis and Characterization of Two Quaternary Uranium Tellurides, RbTiU 3 Te 9 and CsTiU 3 Te 9

Author

Ward, Matthew, Mesbah, Adel, Lee, Minseong, Malliakas, Christos, Choi, Eun Sang, Ibers, James, Northwestern University [Evanston], and Florida State University [Tallahassee] (FSU)

Subjects
[CHIM]Chemical Sciences, [CHIM.MATE]Chemical Sciences/Material chemistry, [CHIM.INOR]Chemical Sciences/Inorganic chemistry, [CHIM.RADIO]Chemical Sciences/Radiochemistry, ComputingMilieux_MISCELLANEOUS
Abstract

International audience

Published
2014

17. Synthesis and Characterization of Eight Compounds of the MU(8)Q(17) Family: ScU8S17, CoU8S17, NiU8S17, TiU8Se17, VU8Se17, CrU8Se17, CoU8Se17, and NiU8Se17

Author

Ward, Matthew D., Mesbah, Adel, Minasian, Stefan G., Shuh, David K., Tyliszczak, Tolek, Lee, Minseong, Choi, Eun Sang, Lebègue, Sébastien, Ibers, James A., Northwestern University [Evanston], Lawrence Berkeley National Laboratory [Berkeley] (LBNL), Advanced Light Source [LBNL Berkeley] (ALS), Florida State University [Tallahassee] (FSU), National High Magnetic Field Laboratory (NHMFL), FSU, Cristallographie, Résonance Magnétique et Modélisations (CRM2), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), and Centre National de la Recherche Scientifique (CNRS)-Université de Lorraine (UL)

Subjects
[CHIM.CRIS]Chemical Sciences/Cristallography, [CHIM.INOR]Chemical Sciences/Inorganic chemistry, [CHIM.RADIO]Chemical Sciences/Radiochemistry
Abstract

International audience; The solid-state MU(8)Q(17) compounds ScU8S17, CoU8S17, NiU8S17, TiU8Se17, VU8Se17, CrU8Se17, CoU8Se17, and NiU8Se17 were synthesized from the reactions of the elements at 1173 or 1123 K. These isostructural compounds crystallize in space group C-2h(3), - C2/m of the monoclinic system in the CrU8S17 structure type. X-ray absorption near-edge structure spectroscopic studies of ScU8S17 indicate that it contains Sc3+, and hence charge balance is achieved with a composition that indudes U3+ as well as U4+. The other compounds charge balance with M2+ and U. Magnetic susceptibility measurements on ScU8S17 indicate antiferromagnetic couplings and a highly reduced effective magnetic moment. Ab Initio calculations find the compound to be metallic. Surprisingly, the Sc-S distances are actually longer than all the other M-S interactions, even though the ionic radii of Sc3+, low-spin Cr2+, and Ni2+ are similar.

Published
2014

18. From Hydrated Ni-3(OH)(2)(C8H4O4)(2)(H2O)(4) to Anhydrous Ni-2(OH)(2)(C8H4O4): Impact of Structural Transformations on Magnetic Properties

Author

Mesbah, Adel, Rabu, Pierre, Sibille, Romain, Lebègue, Sébastien, Mazet, Thomas, Malaman, Bernard, François, Michel, Institut Jean Lamour (IJL), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Institut de Physique et Chimie des Matériaux de Strasbourg (IPCMS), Université Louis Pasteur - Strasbourg I-Centre National de la Recherche Scientifique (CNRS), International Center for Frontier Research in Chemistry (icFRC), Cristallographie, Résonance Magnétique et Modélisations (CRM2), Institut de Chimie du CNRS (INC)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Université de Strasbourg (UNISTRA)-Centre National de la Recherche Scientifique (CNRS)-Matériaux et nanosciences d'Alsace (FMNGE), Institut de Chimie du CNRS (INC)-Université de Strasbourg (UNISTRA)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Strasbourg (UNISTRA)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS)-Réseau nanophotonique et optique, Centre National de la Recherche Scientifique (CNRS)-Université de Strasbourg (UNISTRA)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Centre National de la Recherche Scientifique (CNRS)-Université de Strasbourg (UNISTRA), and Centre National de la Recherche Scientifique (CNRS)-Université de Lorraine (UL)

Subjects
[CHIM.CRIS]Chemical Sciences/Cristallography, [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], [CHIM]Chemical Sciences, [CHIM.MATE]Chemical Sciences/Material chemistry, [CHIM.INOR]Chemical Sciences/Inorganic chemistry
Abstract

Équipe 103 : Composés intermétalliques et matériaux hybrides; International audience; Dehydration of the hybrid compound [Ni-3(OH)(2)(tp)(2)(H2O)(4)] (1) upon heating led to the sequential removal of coordinated water molecules to give [Ni-3(OH)(2)(tp)(2)(H2O)(2)] (2) at T-1 = 433 K and thereafter anhydrous [Ni-2(OH)(2)(tp)] (3) at T-2 = 483 K. These two successive structural transformations were thoroughly characterized by powder X-ray diffraction assisted by density functional theory calculations. The crystal structures of the two new compounds 2. and 3 were determined. It was shown that at T-1 (433 K) the infinite nickel oxide chains built of the repeating structural unit [Ni-3(mu(3)-OH)(2)](4+) in 1 collapse and lead to infinite porous layers, forming compound 2. The second transformation at T-2 (483 K) gave the expected anhydrous compound 3, which is isostructural with Co-2(OH)(2)(tp). These irreversible transitions directly affect the magnetic behavior of each phase. Hence, 1 was found to be antiferromagnetic at T-N = 4.11 K, with metamagnetic behavior with a threshold field H-c of ca. 0.6 T. Compound 2 exhibits canted antiferromagnetism below T-N = 3.19 K, and 3 is ferromagnetic below T-C = 4.5 K.

Published
2014

19. Ba 2 An(S 2 ) 2 S 2 (An = U, Th): Syntheses, Structures, Optical, and Electronic Properties

Author

Mesbah, Adel, Ringe, Emilie, Lebègue, Sébastien, Van Duyne, Richard, Ibers, James, Northwestern University [Evanston], Cristallographie, Résonance Magnétique et Modélisations (CRM2), and Centre National de la Recherche Scientifique (CNRS)-Université de Lorraine (UL)

Subjects
[CHIM.CRIS]Chemical Sciences/Cristallography, [CHIM]Chemical Sciences, [CHIM.INOR]Chemical Sciences/Inorganic chemistry, [CHIM.RADIO]Chemical Sciences/Radiochemistry, ComputingMilieux_MISCELLANEOUS
Abstract

International audience

Published
2012

20. Crystal structures of Boro-AFm and Boro-AFt phases

Author

Champenois, Jean-Baptiste, Mesbah, Adel, Cau Dit Coumes, Céline, Renaudin, Guillaume, Leroux, Fabrice, Albert-Mercier, Cyrille, Revel, Bertrand, Damidot, Denis, Commissariat à l'energie Atomique et aux Energies Alternatives, Commissariat à l'énergie atomique et aux énergies alternatives (CEA), CEA VALRHO (CEA), MI, Institut de Chimie de Clermont-Ferrand (ICCF), SIGMA Clermont (SIGMA Clermont)-Centre National de la Recherche Scientifique (CNRS)-Université Blaise Pascal - Clermont-Ferrand 2 (UBP)-SIGMA Clermont (SIGMA Clermont)-Centre National de la Recherche Scientifique (CNRS)-Université Blaise Pascal - Clermont-Ferrand 2 (UBP), Laboratoire des Matériaux Céramiques et Procédés Associés - EA 2443 (LMCPA), Université de Valenciennes et du Hainaut-Cambrésis (UVHC)-INSA Institut National des Sciences Appliquées Hauts-de-France (INSA Hauts-De-France), Centre Commun de Mesure de RMN, Université de Lille, Sciences et Technologies, Centre for Materials and Processes (CERI MP), Ecole nationale supérieure Mines-Télécom Lille Douai (IMT Lille Douai), and Institut Mines-Télécom [Paris] (IMT)-Institut Mines-Télécom [Paris] (IMT)

Subjects
Hydration products (B), Crystal structure (B), X-ray diffraction (B), Spectroscopy (B), Boron
Abstract

International audience; Crystal structures of boron-containing AFm (B-AFm) and AFt (B-AFt) phases have been solved ab-initio and refined from X-ray powder diffraction. 11B NMR and Raman spectroscopies confirm the boron local environment in both compounds: three-fold coordinated in B-AFm corresponding to HBO3 2− species, and four-fold coordinated in B-AFt corresponding to B (OH)4− species. B-AFm crystallizes in the rhombohedral R 3c space group and has the 3CaO*Al2O3*CaHBO3*12H2O (4CaO*Al2O3*1/2B2O3*12.5H2O, C4AB1/2H12.5) general formulae with planar trigonal HBO32− anions weakly bonded at the centre of the interlayer region. One HBO32−anion is statistically distributed with two weakly bonded water molecules on the same crystallographic site. B-AFt crystallizes in the trigonal P3cl space group and has the 3CaO*Al2O3*Ca(OH)2*2Ca(B (OH)4)2*24H2O (6CaO*Al2O3*2B2O3*33H2O, C6AB2H33) general formulae with tetrahedral B (OH)4− anions located in the channel region of the structure. All tetrahedral anions are oriented in a unique direction, leading to a hexagonal c lattice parameter about half that of ettringite.

Published
2012

21. Crystal Structures and Phase Transition of Cementitious Bi-Anionic AFm-(Cl−, CO32−) Compounds

Author

Mesbah, Adel, Rapin, Jean-Philippe, François, Michel, Cau-Dit-Coumes, Céline, Frizon, Fabien, Leroux, Fabrice, Renaudin, Guillaume, Laboratoire d'Etudes de l'Enrobage des Déchets (L2ED), Commissariat à l'énergie atomique et aux énergies alternatives (CEA), Laboratoire de chimie du solide minéral (LCSM), Université Paul Verlaine - Metz (UPVM)-Université Henri Poincaré - Nancy 1 (UHP)-Centre National de la Recherche Scientifique (CNRS), Institut Jean Lamour (IJL), Institut de Chimie du CNRS (INC)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Commissariat à l'energie Atomique et aux Energies Alternatives, Laboratoire d’étude des Ciments et Bitumes pour le Conditionnement (LCBC), Département de recherche sur les Procédés et Matériaux pour les Environnements complexes (DPME), CEA-Direction des Energies (ex-Direction de l'Energie Nucléaire) (CEA-DES (ex-DEN)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-CEA-Direction des Energies (ex-Direction de l'Energie Nucléaire) (CEA-DES (ex-DEN)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA), Institut de Chimie de Clermont-Ferrand (ICCF), Université Blaise Pascal - Clermont-Ferrand 2 (UBP)-SIGMA Clermont (SIGMA Clermont)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Université de Lorraine (UL)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), and Département de recherche sur les technologies pour l'enrichissement, le démantèlement et les déchets (DE2D)

Subjects
[CHIM]Chemical Sciences, [CHIM.MATE]Chemical Sciences/Material chemistry, ComputingMilieux_MISCELLANEOUS
Abstract

International audience

Published
2011

22. I) Cristallochimie des Carboxylates Métalliques Inhibiteurs de la Corrosion de Métaux et II) Structure et Magnétisme de Dicarboxylates (téréphtalate et thiophène) de Métaux de Transition

Author

Mesbah, Adel, Laboratoire de chimie du solide minéral (LCSM), Université Paul Verlaine - Metz (UPVM)-Université Henri Poincaré - Nancy 1 (UHP)-Centre National de la Recherche Scientifique (CNRS), Université Henri Poincaré - Nancy 1, and Michel François

Subjects
magnétisme, métaux de transition de la première série, dicarboxylates, carboxylates, Cristallochimie, diffraction sur poudre, Matériaux hybrides, Neutrons Diffraction, [CHIM.OTHE]Chemical Sciences/Other
Abstract

The materials treated in this thesis are organized hybrid compounds belonging to the MOFs (Metal Organic Frameworks) family, associating a mineral component, a metallic oxide or hydroxide, and an organic part (a carboxylate or dicarboxylate). The crystallographic structures of the aliphatic metallic carboxylates with long chains, Zn(CnH2n-1O2)2 (n = 11, 12 and 14), Mg(C10H21O2)2(H2O)3 and Mg(C10H16O4)(H2O)2, were determined. The crystallochemistry of the carboxylates is more complex for zinc than for magnesium, due to the presence of polytypes and conformational disorder. A new family of mixed zinc carboxylates with carbon chains of various lengths was studied. The compound Ni3(OH)2(tp)2(H2O)4 (tp = C8H4O42-) (phase A) metamagnetic undergoes two successive dehydrations leading to the phases B Ni3(OH)2(tp)2(H2O)2 and C Ni3(OH)2(tp)2. The phases B and C are canted antiferromagnetic. The structure of the compound Ni3(OH)2(O2CC4H2SCO2)2(H2O)4 was resolved ab initio by XRPD. The magnetic structures of the compounds M(II)2(OH)2(tp) (Fe and Mn) and of the solid solution (FexCo2-x)(OH)2(tp) were determined by neutrons powder diffraction. The Mössbauer spectrometry of the 57Fe pointed out a spin-orbit coupling for iron atoms situated on the site 2b.; Les matériaux traités dans ce travail de thèse sont des composés hybrides organisés, appartenant à la famille des 'MOFs' pour 'Metal Organic Frameworks', associant une composante minérale d'oxyde et/ou hydroxyde métallique et d'une partie organique, carboxylate ou dicarboxylate. Les structures cristallographiques des carboxylates métalliques aliphatiques à longues chaînes carbonées de type Zn(CnH2n-1O2)2 (n = 11, 12 et 14), Mg(C10H21O2)2(H2O)3 et Mg(C10H16O4) (H2O)2 ont été déterminées. La cristallochimie des carboxylates est plus complexe dans le cas du zinc que dans celui du magnésium à cause de la présence de polytypies et de désordre conformationnel. Une nouvelle famille de carboxylates de zinc mixtes a été étudiée avec deux chaînes carbonées de longueurs différentes. Enfin une étude par XPS de surfaces de cuivre couvertes de carboxylates montre un effet de l'orientation de la surface. Le composé [Ni3(OH)2(tp)2(H2O)4].2H2O (tp = C8H4O4) (phase A) métamagnétique subit deux déshydratations successives pour donner les phases B [Ni3(OH)2(tp)2(H2O)2] et C [Ni3(OH)2(tp)2]. Les phases B et C sont des antiferromagnétiques cantés. La structure du composé [Ni3(OH)2(O2CC4H2SCO2)2.2H2O] a été résolue ab initio à partir de données synchrotron sur poudre. Les structures magnétiques des composés M(II)2(OH)2(tp) (Fe et Mn) et de la solution solide (FexCo2-x)(OH)2(tp) ont été déterminées par diffraction des neutrons sur poudre. La spectrométrie Mössbauer du 57Fe a mis en évidence un couplage spin-orbite sur le site 2b.

Published
2008

23. I) Cristallochemistry of Metallic Carboxylates, Corrosion Inhibitors and II) Structure and Magnetism of Transition Metals Dicarboxylates (terephthalate and thiophene)

Author

Mesbah, Adel, UL, Thèses, Laboratoire de chimie du solide minéral (LCSM), Université Paul Verlaine - Metz (UPVM)-Université Henri Poincaré - Nancy 1 (UHP)-Centre National de la Recherche Scientifique (CNRS), Université Henri Poincaré - Nancy 1, and Michel François

Subjects
magnétisme, métaux de transition de la première série, [CHIM.OTHE] Chemical Sciences/Other, dicarboxylates, carboxylates, Cristallochimie, diffraction sur poudre, Matériaux hybrides, Neutrons Diffraction, [CHIM.OTHE]Chemical Sciences/Other
Abstract

The materials treated in this thesis are organized hybrid compounds belonging to the MOFs (Metal Organic Frameworks) family, associating a mineral component, a metallic oxide or hydroxide, and an organic part (a carboxylate or dicarboxylate). The crystallographic structures of the aliphatic metallic carboxylates with long chains, Zn(CnH2n-1O2)2 (n = 11, 12 and 14), Mg(C10H21O2)2(H2O)3 and Mg(C10H16O4)(H2O)2, were determined. The crystallochemistry of the carboxylates is more complex for zinc than for magnesium, due to the presence of polytypes and conformational disorder. A new family of mixed zinc carboxylates with carbon chains of various lengths was studied. The compound Ni3(OH)2(tp)2(H2O)4 (tp = C8H4O42-) (phase A) metamagnetic undergoes two successive dehydrations leading to the phases B Ni3(OH)2(tp)2(H2O)2 and C Ni3(OH)2(tp)2. The phases B and C are canted antiferromagnetic. The structure of the compound Ni3(OH)2(O2CC4H2SCO2)2(H2O)4 was resolved ab initio by XRPD. The magnetic structures of the compounds M(II)2(OH)2(tp) (Fe and Mn) and of the solid solution (FexCo2-x)(OH)2(tp) were determined by neutrons powder diffraction. The Mössbauer spectrometry of the 57Fe pointed out a spin-orbit coupling for iron atoms situated on the site 2b., Les matériaux traités dans ce travail de thèse sont des composés hybrides organisés, appartenant à la famille des 'MOFs' pour 'Metal Organic Frameworks', associant une composante minérale d'oxyde et/ou hydroxyde métallique et d'une partie organique, carboxylate ou dicarboxylate. Les structures cristallographiques des carboxylates métalliques aliphatiques à longues chaînes carbonées de type Zn(CnH2n-1O2)2 (n = 11, 12 et 14), Mg(C10H21O2)2(H2O)3 et Mg(C10H16O4) (H2O)2 ont été déterminées. La cristallochimie des carboxylates est plus complexe dans le cas du zinc que dans celui du magnésium à cause de la présence de polytypies et de désordre conformationnel. Une nouvelle famille de carboxylates de zinc mixtes a été étudiée avec deux chaînes carbonées de longueurs différentes. Enfin une étude par XPS de surfaces de cuivre couvertes de carboxylates montre un effet de l'orientation de la surface. Le composé [Ni3(OH)2(tp)2(H2O)4].2H2O (tp = C8H4O4) (phase A) métamagnétique subit deux déshydratations successives pour donner les phases B [Ni3(OH)2(tp)2(H2O)2] et C [Ni3(OH)2(tp)2]. Les phases B et C sont des antiferromagnétiques cantés. La structure du composé [Ni3(OH)2(O2CC4H2SCO2)2.2H2O] a été résolue ab initio à partir de données synchrotron sur poudre. Les structures magnétiques des composés M(II)2(OH)2(tp) (Fe et Mn) et de la solution solide (FexCo2-x)(OH)2(tp) ont été déterminées par diffraction des neutrons sur poudre. La spectrométrie Mössbauer du 57Fe a mis en évidence un couplage spin-orbite sur le site 2b.

Published
2008

24. Magnetic measurements and neutron diffraction study of the layered hybrid compounds Mn(C8H4O4)(H2O)2 and Mn2(OH)2(C8H4O4)

Author

Silvia Capelli, Adel Mesbah, Bernard Malaman, Michel François, Thomas Mazet, Romain Sibille, Institut Jean Lamour (IJL), Institut de Chimie du CNRS (INC)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Université Henri Poincaré - Nancy 1 (UHP), Laboratoire de chimie du solide minéral (LCSM), Université Paul Verlaine - Metz (UPVM)-Université Henri Poincaré - Nancy 1 (UHP)-Centre National de la Recherche Scientifique (CNRS), and mesbah, adel

Subjects
[CHIM.INOR] Chemical Sciences/Inorganic chemistry, Materials science, Magnetism, Neutron diffraction, 02 engineering and technology, [CHIM.INOR]Chemical Sciences/Inorganic chemistry, 010402 general chemistry, 01 natural sciences, Inorganic Chemistry, Magnetization, [CHIM] Chemical Sciences, Materials Chemistry, Antiferromagnetism, [CHIM]Chemical Sciences, Physical and Theoretical Chemistry, ComputingMilieux_MISCELLANEOUS, [CHIM.MATE] Chemical Sciences/Material chemistry, Magnetic structure, Transition temperature, [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 0104 chemical sciences, Electronic, Optical and Magnetic Materials, Crystallography, Ferromagnetism, Ceramics and Composites, 0210 nano-technology, Néel temperature
Abstract

Mn(C{sub 8}H{sub 4}O{sub 4})(H{sub 2}O){sub 2} and Mn{sub 2}(OH){sub 2}(C{sub 8}H{sub 4}O{sub 4}) layered organic-inorganic compounds based on manganese(II) and terephthalate molecules (C{sub 8}H{sub 4}O{sub 4}{sup 2-}) have been studied by DC and AC magnetic measurements and powder neutron diffraction. The dihydrated compound behaves as a 3D antiferromagnet below 6.5 K. The temperature dependence of its {chi}T product is typical of a 2D Heisenberg system and allows determining the in-plane exchange constant J Almost-Equal-To -7.4 K through the carboxylate bridges. The magnetic structure confirms the in-plane nearest neighbor antiferromagnetic interactions and the 3D ordering. The hydroxide based compound also orders as a 3D antiferromagnet with a higher Neel temperature (38.5 K). Its magnetic structure is described from two antiferromagnetically coupled ferromagnetic sublattices, in relation with the two independent metallic sites. The isothermal magnetization data at 2 K are consistent with the antiferromagnetic ground-state of these compounds. However, in both cases, a slope change points to field-induced modification of the magnetic structure. - Graphical abstract: The macroscopic magnetic properties and magnetic structures of two metal-organic frameworks based on manganese (II) and terephthalate molecules are presented. Highlights: Black-Right-Pointing-Pointer Magnetic study of Mn(C{sub 8}H{sub 4}O{sub 4})(H{sub 2}O){sub 2} and Mn{sub 2}(OH){sub 2}(C{sub 8}H{submore » 4}O{sub 4}). Black-Right-Pointing-Pointer Two compounds with common features (interlayer linker/distance, S=5/2 spin). Black-Right-Pointing-Pointer Magnetic measurements quantitatively analyzed to deduce exchange constants. Black-Right-Pointing-Pointer Magnetic structures determined from neutron powder diffraction experiments.« less

Published
2012

25. Iron in carbonate containing AFm phases

Author

Adel Mesbah, Belay Zeleke Dilnesa, Adrian Wichser, Guillaume Renaudin, G. Le Saout, Erich Wieland, Yaroslav Filinchuk, Barbara Lothenbach, Conditions Extrêmes et Matériaux : Haute Température et Irradiation (CEMHTI), Université d'Orléans (UO)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Institut de Chimie de Clermont-Ferrand (ICCF), Université Blaise Pascal - Clermont-Ferrand 2 (UBP)-SIGMA Clermont (SIGMA Clermont)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Univ Clermont Ferrand, Clermont Univ, Lab Mat Inorgan, CNRS,UMR 6005,LMI, F-63000 Clermont Ferrand, France, Université de Clermont-Ferrand, Institut Laue-Langevin (ILL), ILL, mesbah, adel, Laboratoire des Matériaux Inorganiques (LMI), and Université Blaise Pascal - Clermont-Ferrand 2 (UBP)-Clermont Université-SIGMA Clermont (SIGMA Clermont)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)

Subjects
Materials science, Extended X-ray absorption fine structure, 0211 other engineering and technologies, Analytical chemistry, Infrared spectroscopy, 02 engineering and technology, Building and Construction, Crystal structure, Triclinic crystal system, 021001 nanoscience & nanotechnology, Crystallography, symbols.namesake, [CHIM] Chemical Sciences, 021105 building & construction, X-ray crystallography, symbols, [CHIM]Chemical Sciences, General Materials Science, Solubility, 0210 nano-technology, Raman spectroscopy, ComputingMilieux_MISCELLANEOUS, Solid solution
Abstract

One of the AFm phases in hydrated Portland cement is Ca-3(AlxFe2-x)O-6 center dot CaCO3 center dot nH(2)O. It is based on hexagonal and platey structural elements and the interlayer structure incorporates CO32-. The solid phases were experimentally synthesized and characterized by different techniques including X-ray techniques (XRD and EXAFS) and vibrational spectroscopy techniques (IR, Raman). Fe-monocarbonate (Fe-Mc) and Al-monocarbonate (Al-Mc) were found to be stable up to 50 degrees C, while Fe-hemicarbonate (Fe-Hc) was unstable with respect to Fe-Mc in the presence of calcite. Fe-Mc has a rhombohedral R (3) over barc symmetry which is different from the triclinic of the Al analogue. Both XRD and thermodynamic modelling of the liquid compositions indicated that Al-Mc and the Fe-Mc phases do not form solid solution. The solubility products were calculated experimentally at 20 degrees C and 50 degrees C. Under standards condition the solubility products and other thermodynamic parameters were estimated using temperature-solubility product extrapolation and found to be logK(so) (Fe-Mc) = -34.59 +/- 0.50, logK(so) (Fe-Hc) = -30.83 +/- 0.50 and logK(so)(Al-Mc) = -31.32 +/- 0.50. (C) 2010 Elsevier Ltd. All rights reserved.

Published
2011

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