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Christophe Legein

Legein Christophe Professor Inorganic Materials (MI) department IMMM - UMR 6283 CNRS Le Mans University
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  • 203902
Researcher identifiers

Presentation

**Titres et diplômes** 2007 : Habilitation à diriger des recherches, Université du Maine (UdM) "Apports de la RMN haute résolution solide et de la modélisation des paramètres RMN à la caractérisation structurale de fluorures cristallisés et vitreux" 1996 : CAPES de Sciences Physiques (concours interne, rang : 2ème) 1994 : Doctorat de l’Université du Maine, Mention Sciences des Matériaux "Etude par RPE de l’ordre local dans les verres fluorés d’éléments de transition" Mention : Très Honorable avec félicitations 1990: DEA Sciences des Matériaux, Université du Maine, Mention Bien **Carrière** * 2008/ : Professeur des Universités, section 33, UdM (nommé le 01/09/2008, PR1C le 01/09/2015, PREX1 le 01/09/2021) * 1997/2008 : Maître de Conférences, section 33, UdM (nommé le 01/11/97, 1ère classe le 01/09/2000, classe normale au 01/06/2001) * 1996/1997 : Professeur certifié de Sciences Physiques * 1994/1996 : Attaché Temporaire d’Enseignement et de Recherche, UdM * 1991/1994 : Allocataire de Recherche MRT, Moniteur de l’Enseignement Supérieur, UdM **Responsabilités pédagogiques** * Responsable de l’enseignement à distance (EAD) de chimie (L3, M1) de l’UdM de 2000 à 2012. * Chef du projet Campus Numérique SCCP (Second Cycle Chimie et Physique) financé lors des appels à projets Campus Numériques 2001 et 2002 du Ministère de l’Education Nationale et de la Recherche. * Responsable des projets UVPL (Université Virtuelle en Pays de la Loire)« Maîtrise de Chimie » (2002) et « Reconfiguration de la LCEAD dans le cadre de la réforme LMD » (2004). * Responsable du M1 chimie par EAD (http://www.univ-lemans.fr/master/1-chimie-ead) depuis 2012 (refonte en 2020), du projet de M2 chimie par EAD (2021) puis du master (http://www.univ-lemans.fr/master/2-chimie-ead) chimie par EAD depuis 2021. **Responsabilités scientifiques** o Co-encadrant des thèses de Monique Body (33%, 2002/2005) [T1] et Charlotte Martineau (50%, 2005/2008) [T2]. o Coordinateur scientifique du projet régional (2009/2012) RMN Multidimensionnelle et Modélisation des Matériaux en Pays de la Loire (RMN3MPL). o Co-directeur des thèses de Mamata Biswal (40%, 2009/2013) [T3], Jamal Dabachi (40%, 2013/2017) [T4] et Ouail Zakary (50%, 2020/2023) [T5]. o Co-animateur thématique Matériaux Inorganiques de l’IMMM de 2017 à 2022. T1. Monique Body "Détermination et modélisation des paramètres de Résonance Magnétique Nucléaire de 19F et 27Al dans des fluoroaluminates : relation avec la structure à courte et moyenne distance" http://www.theses.fr/2005LEMA1008 ; http://cyberdoc.univ-lemans.fr/theses/2005/2005LEMA1008.pdf T2. Charlotte Martineau "Caractérisation structurale de fluorures inorganiques par RMN du solide haute résolution multidimensionnelle et multi-noyaux" http://www.theses.fr/fr/2008LEMA1023 ; http://cyberdoc.univ-lemans.fr/theses/2008/2008LEMA1023.pdf T3. Mamata Biswal "Détermination et calcul premiers principes, par la méthode PAW/GIPAW, de paramètres RMN de fluorures inorganiques" http://www.theses.fr/2013LEMA1025 ; https://tel.archives-ouvertes.fr/tel-01015856 T4. Jamal Dabachi "Etude par RMN du solide multi-noyaux et modélisation des paramètres RMN de fluorures et d’oxyfluorures inorganiques" http://www.theses.fr/2017LEMA1006 ; https://tel.archives-ouvertes.fr/tel-01822377 T5. Ouail Zakary "Structural Modeling of oxygen-fluorine ordering in transition metal inorganic oxyfluorides" https://www.theses.fr/2023LEMA1026 ; https://theses.hal.science/tel-04412685 **Responsabilités collectives** o Membre du Conseil d'Administration de l’UFR Sciences et Techniques de 1999 à 2003 et de 2019 à 2023. o Membre de commissions de spécialistes : 31/32/33ème sections de l’Université d’Angers de 2004 à 2008 (suppléant) et 33ème section de l’UdM de 2007 à 2008 (titulaire). o Membre du Conseil Scientifique (CS) de l’UdM de 2005 à 2007. o Membre de la commission consultative d’établissement (CCE) Chimie (sections CNU 32 & 33) de 2009 à 2021. o Membre et coordinateur adjoint de la CCE 10 (sections CNU 31, 32 & 33) depuis 2022. o Ecole Doctorale (ED) 3MPL : membre du conseil et de la cellule de site de 2008 à 2012, correspondant formation pour le site du Mans de 2010 à 2012. o Membre du conseil du Collège Doctoral (CD) de l’UdM de 2009 à 2012. o Directeur du CD de l’UdM de 2012 à 2016, membre du CS et du COS Formation Doctorale de la COMUE L’UNAM (L’Université Nantes Angers Le Mans), de 2012 à 2015, … o Co-pilote du groupe de travail (GT) doctorat de la COMUE Université Bretagne Loire (UBL) de mars 2014 à janvier 2016. o Directeur du Pôle Doctoral [1] du Mans, membre de la commission, du GT "concevoir l’offre de formation", des CoPil Doctoriales (2017, 2018 et 2019) et MT180 de l’Ecole des Docteurs (EdD) de l’UBL puis Bretagne-Loire [2] de 2017 à 2021. o Membre du CoPil HRS4R de Le Mans Université (LMU) [3] de 2019 à 2021 [4]. o Co-porteur (avec mes 2 homologues angevine et nantaise) du projet de CD Pays de la Loire (2020 & 2021): défintion des missions et moyens (RH et budget), évaluation HCERES (rédaction du dossier d'évaluation et présentation du bilan-projet du Collège Doctoral Pays de la Loire), textes réglementaires (charte doctorat,...). o Directeur adjoint de l'IMMM depuis 02/2023. [1] L’arrêté du 25 mai 2016 sur la formation doctorale a entériné l’existence des dispositifs transversaux appelés collège doctoraux, « chargés d’organiser la politique doctorale, de contribuer à sa visibilité et à la mutualisation des activités des écoles doctorales… au niveau d’un site », typiquement une COMUE. Les « collèges doctoraux » ligériens ont donc été rebaptisés « pôles doctoraux ». [2] Dissolution de l’UBL le 31/12/2019. [3] L’UdM a adopté une nouvelle identité en 2017. [4] http://www.univ-lemans.fr/fr/recherche/hrs4r.html

Research domains

Chemical Sciences

Skills

Caractérisation et modélisation structurales de fluorures cristallisés (oxy/hydroxyfluorures nanostructurés, oxyfluorures, …), et vitreux par RMN du solide (19F, 27Al, …) et calculs DFT des paramètres RMN (Cristallographie RMN).

Publications

Enhanced cycle life and expanded voltage window in aqueous proton full cells using TiO2 negative electrodes with cationic vacancies

Milad Toorabally , Arvinder Singh , Maxime Sorriaux , Patrick Taylor , Frédéric Lantelme
Chemistry of Materials, 2024, 36 (20), pp.10238-10248. ⟨10.1021/acs.chemmater.4c02006⟩
Journal articles hal-04758992v1
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How mechanochemistry affects the composition and properties of disordered fluorite BaSnF4?

Briséïs Mercadier , Christophe Legein , Mathieu Duttine , Monique Body , Ana Gabriela Porras Gutierrez
Comptes Rendus. Chimie, 2024, 27 (G1), pp.343-352. ⟨10.5802/crchim.361⟩
Journal articles hal-04858786v1
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Correlated Anion-Disorder in Heteroanionic Cubic TiOF2

Christophe Legein , Benjamin J Morgan , Alexander G Squires , Monique Body , Wei Li
Journal of the American Chemical Society, 2024, 146 (31), pp.21889-21902. ⟨10.1021/jacs.4c06304⟩
Journal articles hal-04676801v1
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Chemical Storage of Elemental Fluorine in Nanostructured Cerium Fluorides

Valentine Camus-Génot , Edouard Boivin , Christophe Legein , Monique Body , Étienne Durand
ACS Applied Nano Materials, 2024, 7 (15), pp.17816-17828. ⟨10.1021/acsanm.4c03024⟩
Journal articles hal-04676815v1
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Electrochemical and Chemical Reactivities of Titanium Oxide-Based Materials with a Chloroaluminate Ionic Liquid Electrolyte for Aluminum Batteries

Maxime Sorriaux , Seongkoo Kang , Kyle G Reeves , Ana Gabriela Porras Gutierrez , Sandrine Leclerc
ACS Applied Energy Materials, 2024, 7 (21), pp.9852-9862. ⟨10.1021/acsaem.4c01840⟩
Journal articles hal-04882226v1

Insights into the Micro-Structure-Transport Relationships of the Fluoride-Ion Conductor t -BaSnF 4 Synthesized by Spark Plasma Sintering

Briséïs Mercadier , Christophe Legein , Monique Body , Theodosios Famprikis , Mathieu Morcrette
Chemistry of Materials, 2024, ⟨10.1021/acs.chemmater.4c01644⟩
Journal articles hal-04669705v1
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Structural Modeling of O/F Correlated Disorder in TaOF 3 and NbOF 3– x (OH) x by Coupling Solid-State NMR and DFT Calculations

Ouail Zakary , Monique Body , Thibault Charpentier , Vincent Sarou-Kanian , Christophe Legein
Inorganic Chemistry, 2023, 62 (40), pp.16627-16640. ⟨10.1021/acs.inorgchem.3c02844⟩
Journal articles hal-04250645v1
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Dynamic Lone Pairs and Fluoride-Ion Disorder in Cubic-BaSnF 4

Briséïs Mercadier , Samuel Coles , Mathieu Duttine , Christophe Legein , Monique Body
Journal of the American Chemical Society, 2023, 145 (43), pp.23739-23754. ⟨10.1021/jacs.3c08232⟩
Journal articles hal-04250709v1
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Synthesis, crystal structure and $^{19}$F NMR parameters modelling of Catif$_6$(H$_2$o)$_2$ yielding to a revision of the bond-valence parameters for the Ti$^{4+}$/F$^-$ ion pair

Christophe Legein , Monique Body , Jérôme Lhoste , Wei Li , Thibault Charpentier
Journal of Solid State Chemistry, 2023, 319, pp.123793. ⟨10.1016/j.jssc.2022.123793⟩
Journal articles cea-03830435v2
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Ordering of a nanoconfined water network around zinc Ions induces high proton conductivity in layered titanate

Seongkoo Kang , Kyle G Reeves , Ivette Aguilar , Ana Gabriela Porras Gutierrez , Jean-Claude Badot
Chemistry of Materials, 2022, 34 (9), pp.3967-3975. ⟨10.1021/acs.chemmater.1c04421⟩
Journal articles hal-03951453v1
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Intercalation–exfoliation processes during ionic exchange reactions from sodium lepidocrocite-type titanate toward a proton-based trititanate structure

Seongkoo Kang , Serge Durand-Vidal , Jean-Claude Badot , Christophe Legein , Monique Body
Physical Chemistry Chemical Physics, 2021, ⟨10.1039/d1cp00352f⟩
Journal articles hal-03212303v1
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Controlled morphology synthesis of nanostructured β-AlF3– x(OH)x with tunable specific surface area

Valentine Camus-Génot , Amandine Guiet , Jérôme Lhoste , Franck Fayon , Monique Body
Crystal Growth & Design, 2021, 21 (10), pp.5914-5927. ⟨10.1021/acs.cgd.1c00808⟩
Journal articles hal-03370214v1
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MgF2-Based Organized Porous Inorganic Nanofluorides as Heterogeneous Catalysts for Fluorination of 2-Chloropyridine

Zahra Goharibajestani , Yawen Wang , Valentine Camus-Génot , Sandrine Arrii , Jean-Dominique Comparot
ACS Applied Nano Materials, 2021, 4 (10), pp.10601 - 10612. ⟨10.1021/acsanm.1c01768⟩
Journal articles hal-03404608v1

Topotactic desolvation and condensation reactions of 3D Zn 3 TiF 7 (H 2 O) 2 (taz) 3 ·S (S = 3H 2 O or C 2 H 5 OH)

Marjorie Albino , J. Lhoste , M. Body , C. Legein , A. Hémon-Ribaud
Dalton Transactions, 2020, ⟨10.1039/D0DT03391J⟩
Journal articles hal-03026120v1
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Hydronium Ions Stabilized in a Titanate-Layered Structure with High Ionic Conductivity: Application to Aqueous Proton Batteries

Seongkoo Kang , Arvinder Singh , Kyle G Reeves , Jean-Claude Badot , Serge Durand-Vidal
Chemistry of Materials, 2020, 32 (21), pp.9458-9469. ⟨10.1021/acs.chemmater.0c03658⟩
Journal articles hal-03118933v1
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The Effects of Various Parameters of the Microwave-Assisted Solvothermal Synthesis on the Specific Surface Area and Catalytic Performance of MgF2 Nanoparticles

Yawen Wang , Zahra Gohari-Bajestani , Jérôme Lhoste , Sandy Auguste , Annie Hémon-Ribaud
Materials, 2020, 13 (16), pp.3566. ⟨10.3390/ma13163566⟩
Journal articles hal-02961375v1
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Atomic Insights into Aluminium‐Ion Insertion in Defective Anatase for Batteries

Christophe Legein , Benjamin Morgan , Franck Fayon , Toshinari Koketsu , Jiwei Ma
Angewandte Chemie International Edition, 2020, ⟨10.1002/anie.202007983⟩
Journal articles hal-02947103v1
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Exploiting cationic vacancies for increased energy densities in dual-ion batteries

Toshinari Koketsu , Jiwei Ma , Benjamin J Morgan , Monique Body , Christophe Legein
Energy Storage Materials, 2020, 25, pp.154-163. ⟨10.1016/j.ensm.2019.10.019⟩
Journal articles hal-02468860v1

Insight into the factors influencing NMR parameters in crystalline materials from the KF–YF 3 binary system

Jamal Dabachi , Monique Body , Jens Dittmer , Aydar Rakhmatullin , Franck Fayon
Dalton Transactions, 2019, 48 (2), pp.587-601. ⟨10.1039/C8DT03241F⟩
Journal articles hal-01984414v1
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Red-Shifted Absorptions of Cation-Defective and Surface-Functionalized Anatase with Enhanced Photoelectrochemical Properties

Jiwei Ma , Wei Li , Nikolay T. Le , Jesús Díaz-Real , Monique Body
ACS Omega, 2019, 4 (6), pp.10929-10938. ⟨10.1021/acsomega.9b01219⟩
Journal articles hal-02325543v1
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Controlled hydroxy-fluorination reaction of anatase to promote Mg 2+ mobility in rechargeable magnesium batteries

Jiwei Ma , Toshinari Koketsu , Benjamin J Morgan , Christophe Legein , Monique Body
Chemical Communications, 2018, 54 (72), pp.10080 - 10083. ⟨10.1039/C8CC04136A⟩
Journal articles hal-01896864v1
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Lithium Intercalation in Anatase Titanium Vacancies and the Role of Local Anionic Environment

Jiwei Ma , Wei Li , Benjamin J Morgan , Jolanta Swiatoska , Rita Baddour-Hadjean
Chemistry of Materials, 2018, 30 (9), pp.3078-3089. ⟨10.1021/acs.chemmater.8b00925⟩
Journal articles hal-02048259v1

NMR Crystallography, Hydrogen Bonding and Optical Properties of the Novel 2D Hybrid Oxyfluorotitanate [H 2 taz ] 2 ·(Ti 5 O 5 F 12 )

Marjorie Albino , Monique Body , Christophe Legein , Annie Hémon-Ribaud , Marc Leblanc
Crystal Growth & Design, 2018, ⟨10.1021/acs.cgd.8b01085⟩
Journal articles hal-01906241v1

Insight into the Crystalline Structure of ThF 4 with the Combined Use of Neutron Diffraction, 19 F Magic-Angle Spinning-NMR, and Density Functional Theory Calculations

Laura Martel , Elisa Capelli , Monique Body , Marco Klipfel , Ondrej Beneš
Inorganic Chemistry, 2018, 57 (24), pp.15350-15360. ⟨10.1021/acs.inorgchem.8b02683⟩
Journal articles cea-01942195v1
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Identify OH groups in TiOF2 and their impact on the lithium intercalation properties

Wei Li , Monique Body , Christophe Legein , Damien Dambournet
Journal of Solid State Chemistry, 2017, 246, pp.113 - 118. ⟨10.1016/j.jssc.2016.11.010⟩
Journal articles hal-01400041v1
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Solvothermal Temperature Drives Morphological and Compositional Changes through Dehydroxyfluorination in Anatase Nanoparticles

Wei Li , Monique Body , Christophe Legein , Olaf J. Borkiewicz , Damien Dambournet
European Journal of Inorganic Chemistry, 2017, 2017 (1), pp.192-197. ⟨10.1002/ejic.201601160⟩
Journal articles hal-01427056v1
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Layered Lepidocrocite Type Structure Isolated by Revisiting the Sol–Gel Chemistry of Anatase TiO 2 : A New Anode Material for Batteries

Jiwei Ma , Kyle G Reeves , Ana-Gabriela Porras Gutierrez , Monique Body , Christophe Legein
Chemistry of Materials, 2017, ⟨10.1021/acs.chemmater.7b02674⟩
Journal articles hal-01611694v1
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Solid Fluoride Electrolytes and Their Composite with Carbon: Issues and Challenges for Rechargeable Solid State Fluoride-Ion Batteries

Antonin Grenier , Ana-Gabriela Porras Gutierrez , Monique Body , Christophe Legein , Fabien Chretien
Journal of Physical Chemistry C, 2017, ⟨10.1021/acs.jpcc.7b07988⟩
Journal articles hal-01628316v1

Fluoride solid electrolytes : from microcrystalline to nanostructured tysonite-type La0.95Ba0.05F2.95

Johann Chable , A. G. Martin , A. Bourdin , Monique Body , Christophe Legein
Journal of Alloys and Compounds, 2017, 692, pp.980-988. ⟨10.1016/j.jallcom.2016.09.135⟩
Journal articles hal-01416986v1

Preparation-Dependent Composition and O/F Ordering in NbO 2 F and TaO 2 F

Jamal Dabachi , Monique Body , Cyrille Galven , Florent Boucher , Christophe Legein
Inorganic Chemistry, 2017, 56 (9), pp.5219 - 5232. ⟨10.1021/acs.inorgchem.7b00355⟩
Journal articles hal-01720997v1
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Reversible magnesium and aluminium ions insertion in cation-deficient anatase TiO2

Toshinari Koketsu , Jiwei Ma , Benjamin J. Morgan , Monique Body , Christophe Legein
Nature Materials, 2017, 16 (11), pp.1142-1148. ⟨10.1038/nmat4976⟩
Journal articles hal-01984411v1
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The key role of the composition and structural features in fluoride ion conductivity in tysonite Ce1-xSrxF3-x solid solutions.

Belto Dieudonné , Johann Chable , Monique Body , Christophe Legein , Etienne Durand
Dalton Transactions, 2017, 46 (11), pp.3761-3769. ⟨10.1039/c6dt04714a⟩
Journal articles hal-01503538v1
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Sol–Gel Chemistry of Titanium Alkoxide toward HF: Impacts of Reaction Parameters

Wei Li , Monique Body , Christophe Legein , Damien Dambournet
Crystal Growth & Design, 2016, 16 (9), pp.5441-5447. ⟨10.1021/acs.cgd.6b00910⟩
Journal articles hal-01489147v1
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Atomic Insights into Nanoparticle Formation of Hydroxyfluorinated Anatase Featuring Titanium Vacancies

Wei Li , Monique Body , Christophe Legein , Olaf J. Borkiewicz , Damien Dambournet
Inorganic Chemistry, 2016, 55 (14), pp.7182-7187. ⟨10.1021/acs.inorgchem.6b01259⟩
Journal articles hal-01489042v1

Structure determination of Ba$_5$ AlF$_{13}$ by coupling electron, synchrotron and neutron powder diffraction, solid-state NMR and ab initio calculations

Charlotte Martineau , Mathieu Allix , Matthew R. Suchomel , Florence Porcher , François Vivet
Dalton Transactions, 2016, 45, pp.15565. ⟨10.1039/c6dt02454h⟩
Journal articles hal-01391171v1

Structural refinement of the RT LaOF phases by coupling powder X-Ray diffraction, 19 F and 139 La solid state NMR and DFT calculations of the NMR parameters

Jamal Dabachi , Monique Body , Jens Dittmer , Franck Fayon , Christophe Legein
Dalton Transactions, 2015, 44 (47), pp.20675 - 20684. ⟨10.1039/C5DT04028K⟩
Journal articles hal-01898635v1

Exploring the Sm1-xCaxFe3-x tysonite solid solution as a solid-state electrolyte : relationship between structural features and F- ionic conductivity

Belto Dieudonné , Johann Chable , Fabrice Mauvy , Sébastien Fourcade , Etienne Durand
Journal of Physical Chemistry C, 2015, 119 (45), pp.25170-25179. ⟨10.1021/acs.jpcc.5b05016⟩
Journal articles hal-01232331v1

Fluoride solid electrolytes: investigation of the tysonite-type solid solutions La1-xBaxF3-x (x < 0.15).

Johann Chable , Belto Dieudonné , Monique Body , Christophe Legein , Marie-Pierre Crosnier-Lopez
Dalton Transactions, 2015, 44 (45), pp.19625-19635. ⟨10.1039/C5DT02321A⟩
Journal articles hal-01232408v1

High substitution rate in TiO2 anatase nanoparticles with cationic vacancies for fast lithium storage

Wei Li , Dario Corradini , Monique Body , Christophe Legein , Mathieu Salanne
Chemistry of Materials, 2015, 27 (14), pp.5014-5019. ⟨10.1021/acs.chemmater.5b01407⟩
Journal articles hal-01204724v1

F−/OH− substitution in [H4tren]4+ and [H3tren]3+ hydroxyfluorotitanates(IV) and classification of tren cation configurations

Jérôme Lhoste , Monique Body , Christophe Legein , Annie Hémon-Ribaud , Marc Leblanc
Journal of Solid State Chemistry, 2014, 217, pp.72-79. ⟨10.1016/j.jssc.2014.05.008⟩
Journal articles hal-01984410v1

Noncovalent Chalcogen Bonds and Disulfide Conformational Change in the Cystamine-Based Hybrid Perovskite [H3N(CH2)2SS(CH2)2NH3]PbIII4

Nicolas Louvain , Gilles Frison , Jens Dittmer , Christophe Legein , Nicolas Mercier
European Journal of Inorganic Chemistry, 2014, 2014 (2), pp.364-376. ⟨10.1002/ejic.201301017⟩
Journal articles hal-00903671v1

NMR parameters in column 13 metal fluoride compounds (AlF3, GaF3, InF3 and TlF) from first principle calculations

Aymeric Sadoc , Mamata Biswal , Monique Body , Christophe Legein , Florent Boucher
Solid State Nuclear Magnetic Resonance, 2014, 59-60, pp.1-7. ⟨10.1016/j.ssnmr.2014.01.001⟩
Journal articles hal-01085225v1

NbF5 and TaF5: Assignment of F-19 NMR resonances and chemical bond analysis from GIPAW calculations

Mamata Biswal , Monique Body , Christophe Legein , Aymeric Sadoc , Florent Boucher
Journal of Solid State Chemistry, 2013, 207, pp.208. ⟨10.1016/j.jssc.2013.09.001⟩
Journal articles hal-00980331v1

Structural investigation of α-LaZr2F11 by coupling X-ray powder diffraction, 19F solid state NMR and DFT calculations

Charlotte Martineau , Christophe Legein , Monique Body , Olivier Peron , Brigitte Boulard
Journal of Solid State Chemistry, 2013, 199, pp.326-333. ⟨10.1016/j.jssc.2012.12.016⟩
Journal articles hal-01984408v1

"Structural Investigation of α- and β-Sodium Hexafluoroarsenate, NaAsF6, by Variable Temperature X-ray Powder Diffraction and Multinuclear Solid-State NMR, and DFT Calculations"

M. Biswal , M. Body , C. Legein , G. Corbel , A. Sadoc
Journal of Physical Chemistry C, 2012, 116, pp.11682. ⟨10.1021/jp3040727⟩
Journal articles hal-00866494v1

NMR parameters in alkali, alkaline earth and rare earth fluorides from first principle calculations

A. Sadoc , M. Body , C. Legein , M. Biswal , F. Fayon
Physical Chemistry Chemical Physics, 2011, 13 (41), pp.18539-18550. ⟨10.1039/C1CP21253B⟩
Journal articles hal-00640090v1

New Oxyfluoride Pyrochlores Li2-xLa(1+x)/3□(2x-1)/3B2O6F (B = Nb, Ta): Average and Local Structure Characterization by XRD, TEM and 19F Solid-State NMR Spectroscopy

Cyrille Galven , Christophe Legein , Monique Body , Jean-Louis Fourquet , Jean-Yves Buzaré
European Journal of Inorganic Chemistry, 2010, 2010 (33), pp.5272-5283. ⟨10.1002/ejic.201000599⟩
Journal articles hal-01984406v1

Solid-State 19F MAS NMR Investigation of Fluoride Ion Mobility in Lead Fluorides: Correlation with Anionic Conductivity

C. Martineau , F. Fayon , C. Legein , J.Y. Buzaré , G. Corbel
Chemistry of Materials, 2010, 22 (4), pp.1585-1594. ⟨10.1021/cm9030182⟩
Journal articles hal-00640095v1

Double-quantum 19F-19F dipolar recoupling at ultra-fast magic angle spinning NMR: Apllication to the assignment of 19F spectra of inorganic fluorides

Q. A. Wang , B. Hu , F. Fayon , J. Trébosc , C. Legein
Physical Chemistry Chemical Physics, 2009, 11 (44), pp.10391-10395. ⟨10.1039/b914468d⟩
Journal articles hal-00640100v1

Highly fluorinated silica obtained by direct F2-gas fluorination: stability and unprecedented fluorosilicate species revealed by solid state NMR investigations

Emilie Lataste , Christophe Legein , Monique Body , Jean-Yves Buzaré , Alain Tressaud
Journal of Physical Chemistry C, 2009, 113 (43), pp.18652-18660. ⟨10.1021/jp9087628⟩
Journal articles hal-00438500v1

Properties of amorphous silica generated by the fluoride method

L. P. Demyanova , Alain Tressaud , Jean-Yves Buzaré , Charlotte Martineau , Christophe Legein
Inorganic Materials, 2009, 45 (2), pp.151-156. ⟨10.1134/S0020168509020083⟩
Journal articles hal-00355771v1

On the assignment of 19F MAS NMR spectra of fluoroaluminates using through-space spectral edition of 19F–27Al and 19F–19F connectivities

Charlotte Martineau , Christophe Legein , Jean-Yves Buzaré , Franck Fayon
Physical Chemistry Chemical Physics, 2009, 11 (6), pp.950-957. ⟨10.1039/b812091a⟩
Journal articles hal-00357596v1

Structural investigations and acidic properties of high surface area pyrochlore aluminium hydroxyfluoride

Damien Dambournet , Alain Demourgues , Charlotte Martineau , Etienne Durand , Jérôme Majimel
Journal of Materials Chemistry, 2008, 18 (21), pp.2483-2492. ⟨10.1039/b718856k⟩
Journal articles hal-00295569v1

Nanostructured aluminium hydroxyfluorides derived from b-AlF3

Damien Dambournet , Alain Demourgues , Charlotte Martineau , Stanislav Pechev , Jérôme Lhoste
Chemistry of Materials, 2008, 20 (4), pp.1459-1469. ⟨10.1021/cm702603b⟩
Journal articles hal-00259489v1

Probing the local environments of fluorine in Ce-based fluorite-type oxyfluorides with 19F MAS NMR spectroscopy

Laetitia Sronek , Jérôme Lhoste , Manuel Gaudon , Christophe Legein , Jean-Yves Buzaré
Journal of Physical Chemistry C, 2008, 112 (3), pp.860-866. ⟨10.1021/jp075130+⟩
Journal articles hal-00255890v1

Neutron Powder Diffraction, Multinuclear and Multidimensional NMR Structural Investigation of Pb5Ga3F19

Charlotte Martineau , Franck Fayon , Christophe Legein , Jean-Yves Buzaré , François Goutenoire
Inorganic Chemistry, 2008, 47 (23), pp.10895-10905. ⟨10.1021/ic801044j⟩
Journal articles hal-00357617v1

Structure determination of β-Pb2ZnF6 by coupling multinuclear solid state NMR, powder XRD and ab initio calculations

C. Martineau , F. Fayon , C. Legein , J.Y. Buzaré , M. Body
Dalton Transactions, 2008, 44, pp.6150-6158. ⟨10.1039/b810863c⟩
Journal articles hal-00332543v1

Nanostructured Al-based fluoride-oxide materials with core-shell morphology

Damien Dambournet , Alain Demourgues , Charlotte Martineau , Jérôme Majimel , Michael Feist
Journal of Physical Chemistry C, 2008, 112 (32), pp.12374-12380. ⟨10.1021/jp801310e⟩
Journal articles hal-00319785v1

Microwave synthesis of an aluminum fluoride hydrate with cationic vacancies: structure, thermal stability, and acidic properties

Damien Dambournet , Alain Demourgues , Charlotte Martineau , Etienne Durand , Jérôme Majimel
Chemistry of Materials, 2008, 20 (22), pp.7095-7106. ⟨10.1021/cm8023617⟩
Journal articles hal-00339896v1

Advances in Structural Analysis of Fluoroaluminates Using DFT Calculations of 27Al Electric Field Gradients

Monique Body , Christophe Legein , Jean-Yves Buzaré , Gilles Silly , Peter Blaha
Journal of Physical Chemistry A, 2007, 111 (46), pp.11873-18884. ⟨10.1021/jp0740696⟩
Journal articles hal-00186109v1

PbnI4n+2(2n+2) ribbons (n = 3, 5) as dimensional reductions of 2D perovskite layers in cystamine cation based hybrids, also incorporating iodine molecules or reversible guest water molecules

Nicolas Louvain , Wenhua Bi , Nicolas Mercier , Jean-Yves Buzaré , Christophe Legein
Dalton Transactions, 2007, 9, pp.965-970. ⟨10.1039/b617225c⟩
Journal articles hal-01984402v1

Hybrid Perovskite Resulting from the Solid-State Reaction between the Organic Cations and Perovskite Layers of α1-(Br-(CH 2 ) 2 -NH 3 ) 2 PbI 4

Sebastien Sourisseau , Nicolas Louvain , Wenhua Bi , Nicolas Mercier , David Rondeau
Inorganic Chemistry, 2007, 46 (15), pp.6148-6154. ⟨10.1021/ic070240g⟩
Journal articles hal-01984405v1
Image document

Reduced band gap hybrid perovskites resulting from combined hydrogen and halogen bonding at the organic-inorganic interface

Sébastien Sourisseau , Nicolas Louvain , Wenhua Bi , Nicolas Mercier , David Rondeau
Chemistry of Materials, 2007, 19 (3), pp.600-607. ⟨10.1021/cm062380e⟩
Journal articles hal-00391941v1

Accurate Heteronuclear J-Coupling Measurements in Dilute Spin Systems using the multiple-quantum filtered J-resolved experiment

Charlotte Martineau , Franck Fayon , Christophe Legein , Jean-Yves Buzaré , Gilles Silly
Chemical Communications, 2007, 26, pp.2720-2722. ⟨10.1039/b703321d⟩
Journal articles hal-00141255v1

19F high speed MAS NMR investigation of AlF63- octahedron connectivity in fluoroaluminate glasses.

Monique Body , Christophe Legein , Gilles Silly , Jean-Yves Buzaré
Journal of Non-Crystalline Solids, 2007, 353 (22-23), pp.2231-2236. ⟨10.1016/j.jnoncrysol.2007.03.014⟩
Journal articles hal-00186105v1

The relationship between 27Al quadrupolar parameters and AlF63- octahedron connectivity in crystalline and glassy fluoroaluminates.

Monique Body , Christophe Legein , Jean-Yves Buzaré , Gilles Silly
European Journal of Inorganic Chemistry, 2007, 14, pp.1980-1988. ⟨10.1002/ejic.200601148⟩
Journal articles hal-00186106v1

New highly divided Ce-Ca-based oxyfluorides with UV-Shielding properties: study of the Ce1-xCaxO2-x and Ce1-xCaxO2-x-y/2Fy series

Laetitia Sronek , Jérôme Majimel , Yolande Kihn , Yvan Montardi , Alain Tressaud
Chemistry of Materials, 2007, 19 (21), pp.5110-5121. ⟨10.1021/cm071482h⟩
Journal articles hal-00177966v1

Ca 2+ /vacancies and O 2− /F − ordering in new oxyfluoride pyrochlores Li 2x Ca 1.5−x □ 0.5−x M 2 O 6 F (M = Nb,Ta) for 0 ≤ x ≤ 0.5

Françoise Le Berre , Marie-Pierre Crosnier-Lopez , Cyrille Galven , Jean-Louis Fourquet , Christophe Legein
Dalton Transactions, 2007, 23, pp.2457-2466. ⟨10.1039/b701863k⟩
Journal articles hal-01984403v1

19F High Magnetic Field NMR Study of β-ZrF4 and CeF4: from Spectra Reconstruction to Correlation between Fluorine Sites and 19F Isotropic Chemical Shifts

Christophe Legein , Franck Fayon , Charlotte Martineau , M. Body , Jean-Yves Buzaré
Inorganic Chemistry, 2006, 45 (26), pp.10636-10641. ⟨10.1021/ic061339a⟩
Journal articles hal-00115872v1

27Al NMR experiments and quadrupolar parameter ab initio calculations: Crystallographic structure refinement of beta-Ba3AlF9

Monique Body , Gilles Silly , Christophe Legein , Jean-Yves Buzaré , Florent Calvayrac
Chemical Physics Letters, 2006, 424 (4-6), pp.321-326. ⟨10.1016/j.cplett.2006.04.091⟩
Journal articles hal-00186104v1

Multinuclear High Resolution NMR study of compounds from the ternary system NaF-CaF2-AlF3: from determination to modeling of NMR parameters

C. Martineau , M. Body , C. Legein , G. Silly , J.-Y. Buzaré
Inorganic Chemistry, 2006, 45, pp.10215-10223. ⟨10.1021/ic061348j⟩
Journal articles hal-00121015v1

Cluster models and ab initio calculations of 19F NMR isotropic chemical shifts for inorganic fluorides

Monique Body , Gilles Silly , Christophe Legein , Jean-Yves Buzaré
Journal of Physical Chemistry B, 2005, 109 (20), pp.10270-10278. ⟨10.1021/jp046763g⟩
Journal articles hal-00186094v1

Structural investigations of beta-CaAlF5 by coupling powder XRD, NMR, EPR and spectroscopic parameter calculations.

Monique Body , Gilles Silly , Christophe Legein , Jean-Yves Buzaré , Florent Calvayrac
Journal of Solid State Chemistry, 2005, 178 (12), pp.3655-3661. ⟨10.1016/j.jssc.2005.09.021⟩
Journal articles hal-00186099v1

Correlation between 19 F Environment and Isotropic Chemical Shift in Barium and Calcium Fluoroaluminates

M. Body , G. Silly , C. Legein , J.-Y. Buzaré
Inorganic Chemistry, 2004, 43 (8), pp.2474-2485. ⟨10.1021/ic049956r⟩
Journal articles hal-01984396v1

Electric field gradients in fluoride crystalline powders: correlation of NMR measurements with ab initio calculations

G. Silly , C. Legein , J.y Buzaré , C Calvayrac
Solid State Nuclear Magnetic Resonance, 2004, 25 (4), pp.241-251. ⟨10.1016/j.ssnmr.2003.09.001⟩
Journal articles hal-01984394v1

Les fluorures inorganiques, des matériaux modèles pour tester les méthodes de calcul de paramètres RMN (déplacement chimique et paramètres quadripolaires)

Gilles Silly , Monique Body , Jean-Yves Buzaré , Christophe Legein , Bruno Bureau
Comptes Rendus. Chimie, 2004, 7 (3-4), pp.403-416. ⟨10.1016/j.crci.2004.02.006⟩
Journal articles hal-01984395v1

Nuclear magnetic resonance quadrupolar parameters and short range order in disordered ionic fluorides

B. Bureau , G. Silly , B Buzaré , B. Boulard , C. Legein
Journal of Physics: Condensed Matter, 2000, 12 (26), pp.5775-5788. ⟨10.1088/0953-8984/12/26/323⟩
Journal articles hal-01984392v1

Structural phase transition in AlF3: An EPR study of doped powder samples

G. Scholz , R. Stösser , C. Legein , J.-Y. Buzaré , G. Silly
Applied Magnetic Resonance, 2000, 18 (2), pp.199-215. ⟨10.1007/BF03162111⟩
Journal articles hal-01984189v1

Thermal evaporation of rare-earth chlorides: application to vapor phase deposition of rare earth-doped fluoride glass waveguides

B. Boulard , Sandrine Coste , Y. Gao , C. Legein , C. Dugopolovski
Journal of Non-Crystalline Solids, 2000, 276 (1-3), pp.72-77. ⟨10.1016/S0022-3093(00)00269-6⟩
Journal articles hal-01984393v1

From crystalline to glassy gallium fluoride materials: an NMR study of and quadrupolar nuclei

B. Bureau , G. Silly , J.-Y. Buzaré , C. Legein , D. Massiot
Solid State Nuclear Magnetic Resonance, 1999, 14 (3-4), pp.181-190. ⟨10.1016/S0926-2040(99)00027-2⟩
Journal articles hal-01984181v1

Erratum

Bruno Bureau , Gilles Silly , J.-Y. Buzaré , C. Legein , D. Massiot
Solid State Nuclear Magnetic Resonance, 1999, 15 (2), pp.129-138. ⟨10.1016/S0926-2040(99)00057-0⟩
Journal articles hal-01984164v1

Investigation of fluorine octahedron connectivities in transition metal fluoride glasses by solid-state magic-angle-spinning nuclear magnetic resonance spectroscopy

B. Bureau , G. Silly , B Buzaré , J. Emery , C. Legein
Journal of Physics: Condensed Matter, 1997, 9 (31), pp.6719-6736. ⟨10.1088/0953-8984/9/31/022⟩
Journal articles hal-01984090v1

Is Electron Paramagnetic Resonance a Valuable Technique for Structural Study of PZG Glass through Recrystallization?

C. Legein , J.Y. Buzaré , C. Jacoboni
Journal of Solid State Chemistry, 1996, 121 (1), pp.149-157. ⟨10.1006/jssc.1996.0022⟩
Journal articles hal-01984077v1

The local field distribution of in transition metal fluoride glasses investigated by electron paramagnetic resonance

C. Legein , J Buzaré , G. Silly , C. Jacoboni
Journal of Physics: Condensed Matter, 1996, 8 (23), pp.4339-4350. ⟨10.1088/0953-8984/8/23/023⟩
Journal articles hal-01984087v1

Short-range order quantification in transition metal fluoride glasses (TMFG) through EPR spectra simulation

C. Legein , J Buzare , B. Boulard , C. Jacoboni
Journal of Physics: Condensed Matter, 1995, 7 (25), pp.4829-4846. ⟨10.1088/0953-8984/7/25/008⟩
Journal articles hal-01984071v1

Electron paramagnetic resonance determination of the local field distribution acting on Cr 3+ and Fe 3+ in transition metal fluoride glasses (TMFG)

C. Legein , J.-Y. Buzare , J. Emery , C. Jacoboni
Journal of Physics: Condensed Matter, 1995, 7 (20), pp.3853-3862. ⟨10.1088/0953-8984/7/20/006⟩
Journal articles hal-01984067v1

Short range ordering in transition metal fluoride glasses as shown by EPR

C. Legein , J.Y. Buzaré , C. Jacoboni
Journal of Non-Crystalline Solids, 1995, 184, pp.160-165. ⟨10.1016/0022-3093(94)00609-1⟩
Journal articles hal-01984062v1

EPR structural investigations of transition metal fluoride glasses (TMFG)

C. Legein , J.Y. Buzaré , C. Jacoboni
Journal of Non-Crystalline Solids, 1993, 161, pp.112-117. ⟨10.1016/0022-3093(93)90680-V⟩
Journal articles hal-01984054v1