 |
AUBERT Emmanuel Maître de Conférences à l'Université de Lorraine Laboratoire de Cristallographie, Résonance Magnétique et Modélisations, UMR CNRS 7036 Faculté des Sciences et Technologies, Boulevard des Aiguillettes BP 70239, 54506 Vandoeuvre-lès-Nancy, France  +33 (0)3 72 74 56 44 +33
(0)3 72 74 52 18 emmanuel.aubert@univ-lorraine.fr |
 Apprentissage
TF : Télécharger FTL-SE (6970Ko)
de
S. Weber (Jcrystal)
Learning FT : Download FTL-SE (6970Ko) from S. Weber (Jcrystal) ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Symétries
dans les problèmes d'électrostatique
et de magnétostatique (applets JMol/Java) Exemples de lignes de champ / isopotentielles Vidéos d'expériences en électrostatique ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Simulations/Animations en Mécanique du Point ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Animations et exercices interactifs en cristallographie Documents école Cristallographie PàM 2012 Formation Continue en Cristallographie : nous contacter si vous souhaitez participer à une session 
Activités
de recherche
Galerie photos  Publications2018 "Molecular recognition of wood polyphenols by phase II detoxification enzymes of the white rot Trametes versicolor" M. Schwartz, T. Perrot, E. Aubert, S. Dumarçay, F. Favier, P. Gérardin, M. Morel-Rouhier, G. Mulliert, F. Saiag, C. Didierjean, E. Gelhaye Scientific reports, 8, 1, 8472. "Halogen bond in high-performance liquid chromatographyenantioseparations: Description, features and modelling" R. Dallocchio, A. Dessì, M. Solinas, A. Arras, S. Cossu, E. Aubert, V. Mamane, P. Peluso (2018) J. Chrom. A, 1563, 71–81. "Enantioseparation of fluorinated 3-arylthio-4,4’-bipyridines: Insightsinto chalcogen and Pi-hole bonds in high-performance liquid chromatography" P. Peluso, C. Gatti, A. Dessì, R. Dallocchio, R. Weiss, E. Aubert, P. Pale, S. Cossu, V. Mamane (2018) J. Chrom. A, 1567, 119–129. "Polysaccharide‐based chiral stationary phases as halogen bond acceptors: A novel strategy for detection of stereoselective σ‐hole bonds in solution" P. Peluso, V. Mamane, R. Dallocchio, A. Dessì, R. Villano, D. Sanna, E. Aubert, P. Pale, S. Cossu (2018) J. Sep. Sci., 6, 1247-1256. "C1-Symmetric 1,2-Diaminobicyclo[2.2.2]octane Ligands in Copper-Catalyzed Asymmetric Henry Reaction: Catalyst Development and DFT Studies" P. Milbeo, L. Moulat, C. Didierjean, E. Aubert, J. Martinez, and M. Calmès (2018) Eur. J. Org. Chem., 178-187. 2017 “Toward a reverse hierarchy of halogen bonding between bromine and iodine”. Aubert E., Espinosa E., Nicolas I., Jeannin O. and Fourmigué M. (2017) Faraday Discussions 203 (2017) 389. "Silver(I) coordination polymers with 3,3’,5,5’-tetrasubstituted 4,4’-bipyridine ligands: towards new porous chiral materials". Aubert, E., Abboud M., Doudouh A., Durand P., Peluso P., Ligresti A., Vigolo B., Cossu S., Pale P., Mamane V. (2017) RSC Adv., 7, 7358-7367. "Charge density analysis of metformin chloride, a biguanide anti-hyperglycemic agent". R. N. Devi, C. Jelsch, S. Israel, E. Aubert, C. Anzline and A. A. Hosamani (2017) Acta Cryst B73, 1-13. "A Hirshfeld surface analysis, crystal structure and spectroscopic properties of new Zn(II) complex with N-aminoethylpiperazine ligand". El Glaoui M., El Glaoui M., Jelsch C., Aubert E., Lefebvre F., Ben Nasr C. (2017) J. Mol. Struct. 1134, 538-545. "Synthesis of Enantiopure 1,2-Diaminobicyclo[2.2.2]octane Derivatives, C1‑Symmetric Chiral 1,2-Diamines with a Rigid Bicyclic Backbone". P. Milbeo, L. Moulat, C. Didierjean, E. Aubert, J. Martinez, and M. Calmès (2017) J. Org. Chem. 82 3144-3151. "Generation of Cryptophanes in Water by Disulfide Bridge Formation" F. Brégier, O. Hudeček, F. Chaux, M.-J. Penouilh, J.-C. Chambron, P. Lhoták, E. Aubert, and E. Espinosa (2017) Eur. J. Org. Chem., 3795–3811. "Recent trends and applications in liquid-phase chromatography enantioseparation of atropisomers" P. Peluso, V. Mamane, E. Aubert, S. Cossu (2017) Electrophoresis 00, 1-21. . "Multi-layered, vertically-aligned and functionalized mesoporous silica films generated by sequential electrochemically assisted self-assembly". G. Giordano, N. Vilà, E. Aubert, J. Ghanbaja, A. Walcarius (2017) Electrochimica Acta 237, 227-236. 2016 "Channels with ordered water and bipyridine molecules in the porous coordination polymer {[Cu(SiF6)(C10H8N2)2]·2C10N2H8·5H2O}n ". Aubert, E., Doudouh A., Peluso P., Mamane V. (2016) Acta Cryst. E 72, 1654-1658. "Stabilization of polyiodide chains via anion⋯anion interactions: experiment and theory". K. Lamberts, P. Handels, U. Englert, E. Aubert, E. Espinosa (2016) CrystEngComm, 18, 3832 – 3841. "Synthesis, characterization, crystal structure and DFT study of two new polymorphs of a Schiff base (E)-2-((2,6-dichlorobenzylidene)amino)benzonitrile". N. Benarous, A. Cherouana, Emmanuel Aubert, Pierrick Durand, S. Dahaoui (2016) J. Mol. Struct. 1105 186-193. "An Optically-Pure Hemicryptophane as NMR and ECD Responsive Probe for Chloroform". F. Brégier, E. Aubert, E. Espinosa, J.-C. Chambron (2016) ChemistrySelect, 1, 2389 – 2395. "The stereoselective self-assembly of chiral metallo-organic cryptophanes". A. Schaly, Y. Rousselin, J.-C. Chambron, E. Aubert, E. Espinosa (2016). Eur. J. Inorg. Chem, 832-843. "A comparative study of two polymorphs of bis(1-hydroxy-2-methylpropan-2-aminium) carbonate". M. Ben Nasr, E. Aubert, E. Espinosa (2016) Acta Cryst. C72, 225-229. "N-Pyrrolidine-based α/β-peptides incorporating ABOC, a constrained bicyclic β-amino acid, for asymmetric aldol reaction catalysis". P. Milbeo, K. Maurent, L. Moulat, A. Lebrun, C. Didierjean, E. Aubert, J. Martinez, M. Calmès (2016) Tetrahedron 72 1706-1715. "Chiral Hexahalogenated 4,4′-Bipyridines". V. Mamane, P. Peluso, E. Aubert, S. Cossu, P. Pale (2016) J. Org. Chem. 81, 4576-4587. "Insight into halogen bond-driven enantioseparations". P. Peluso, V. Mamane, E. Aubert, A. Dessi, R. Dallochio, A. Dore, P. Pale, S. Cossu (2016). J. Chrom. A 1467, 228-238. 2015 "Synthesis and physico-chemical studies of a novel organo-metallic compound CdCl2(C6H4FNH2)2" M. Ben Nasr, E. Aubert, E. Espinosa, F. Lefebvre, C. Ben Nasr (2015) J. Mol. Struct. 1082, 162–169. "Cocrystal or Salt: Solid State-Controlled Iodine Shift in Crystalline Halogen-Bonded Systems". Olena Makhotkina, Julien Lieffrig, Olivier Jeannin, Marc Fourmigué, Emmanuel Aubert, and Enrique Espinosa (2015) Cryst. Growth Des., 15, 3464-3473. "Supramolecular structure, IR spectroscopic and magnetic studies of a novel copper (II) complex ([Cu(phen)]2(H2PO4)2HPO4)2(H3PO4)4" M. Ben Nasr, E. Aubert, V. Ferretti, E. Espinosa, P. S. P. Silva, L. C. J. Pereira, and M. R. Silva (2015) J. Struct. Chem. Vol. 56, No. 8, pp. 1555-1562. 2014 "Unprecedented Transition Between 11/9 and 18/16 Helix in α/-Hybrid Bicyclic -Amino Acid Based Peptides " Legrand, B., André, C., Moulat, L., Wenger, E., Didierjean, C., Aubert, E., Averlant-Petit, M.-C., Martinez, J., Calmes, M., Amblard, M. (2014) Angew. Chem. Int. Ed, 53(48):13131-5. "Electro-Assisted Self-Assembly of Cetyltrimethylammonium-Templated Silica Films in Aqueous Media: Critical Effect of Counteranions on the Morphology and Mesostructure Type" Guillemin, Y., Ghanbaja, J., Aubert, E., Etienne, M., Walcarius, A. (2014) Chem. Mater. 26, 1848-1858. "High-performance liquid chromatography enantioseparation of polyhalogenated 4,4’-bipyridines on polysaccharide-based chiral stationary phases under multimodal elution" Peluso, P.; Mamane, V.; Aubert, E.; Cossu, S. J. (2014) J. Sep. Sci, 37, 2481-2489. "Crystal structure of 2-amino-5-methylsulfanyl-1,3,4-thiadiazol-3-ium chloride monohydrate" Soudani, S., Aubert, E., Jelsch, C., Ben Nasr (2014) C. Acta Cryst E70, o913-o914. "Crystal structure, magnetic and IR spectroscopic studies of a novel non centrosymmetric copper(II) complex [Cu(AMP)(H2O)3]SO4" Ben Nasr, M., Aubert, E., Espinosa, E., Zeller, M., Pereira, L.C.J., Silva, M.R. (2014) ChemXpress 4(2), 2014. "Electrochemically Assisted Generation of Highly Ordered Azide-Functionalized Mesoporous Silica for Oriented Hybrid Films" Vilà, N., Ghanbaja, J., Aubert, E. & Walcarius, A. Angew. Chem. Int. Ed. (2014) 53, 2945-2950. "Inter-layer charge disproportionation in the dual-layer organic metal (tTTF-I)2ClO4 with unsymmetrical I⋯O halogen bond interactions" Shin, K.-S., Jeannin, O., Brezgunova, M., Dahaoui,S., Aubert, E., Espinosa, E., Auban-Senzier, P., Swietlik, R., Frackowiak, A. & Fourmigué, M. Dalton Trans. (2014) 43, 5280-5291. "Insights into the impact of shape and electronic properties on the enantioseparation of polyhalogenated 4,4?-bipyridines on polysaccharide-type selectors. Evidence of stereoselective halogen bonding interactions" Peluso, P., Mamane, V., Aubert, E., Cossu, S. (2014) J. Chromat. A, 1345, 182-192 "Crystal structure, magnetic and IR spectroscopic studies of a novel non centrosymmetric copper(II) complex [Cu(AMP)(H2O)3]SO4" Ben Nasr, M., Aubert, E., Espinosa, E., Zeller, M., Pereira, L.C.J., Silva, M.R. (2014) ChemXpress 4(2), 2014 2013 "Mixed Oligoureas Based on Constrained Bicyclic and Acyclic b-Amino Acids Derivatives: On the Significance of the Subunit Configuration for Folding" André, C., Legrand, B., Moulat, L., Wenger, E., Didierjean, C., Aubert, E., Averlant-Petit, M. C., Martinez, J., Amblard, M. & Calmes, M. Chem. Eur. J. (2013) 19, 16963-16971. "The organic–inorganic hybrid material 1-cyclohexylpiperazine-1,4-diium tetrachloridozincate" Soudani, S., Aubert, E., Jelsch, C. & Ben Nasr, C. Acta Cryst. (2013) C69, 1304-1306. "Charge-Assisted Halogen Bonding: Donor–Acceptor Complexes with Variable Ionicity" Lieffrig, J., Jeannin, O., Frackowiak, A., Olejniczak, I., Swietlik, R., Dahaoui, S., Aubert, E., Espinosa, E., Auban-Senzier, P. & Fourmigué, M. Chem. Eur. J., (2013) 19, 14804 – 14813. "Optimization of the HPLC enantioseparation of 3,3'-dibromo-5,5'-disubstituted-4,4'-bipyridines using immobilized polysaccharide-based chiral stationary phases" Peluso, P., Mamane, V., Aubert, E. & Cossu, S. J. Sep. Sci. (2013) 36, 2993-3003. "Chalcogen bonding: experimental and theorectical determinations from electron density analysis. Geometrical preferences driven by electrophilic-nucleophilic interactions" M. E. Brezgunova, J. Lieffrig, E. Aubert, S. Dahaoui, P. Fertey, S. Lebègue, J.G. Angyan, M. Fourmigué, & E. Espinosa, Crystal Growth & Design (2013) 13, 3283-3289. "Lithiation of prochiral 2,2'-dichloro-5,5'-dibromo-4,4'-bipyridine as a tool for the synthesis of chiral polyhalogenated 4,4'-bipyridines" V. Mamane, E. Aubert, P. Peluso & S. Cossu. The Journal of Organic Chemistry (2013) 78, 7683-7689. "Energetic analysis of the molecular packing of 5,5'-dibromo-2,2'-bis[(methylsulfanyl)phenyl]-4,4'-bipyridine: the role of π-π and halogen interactions" M. Abboud, V. Mamane, & E. Aubert Acta Cryst. (2013) C69, 56-60. "N-[3a-(4-Bromophenyl)-8b-hydroxy-6,8-dimethoxy-3-phenyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-1-yl]formamide monohydrate" E. Aubert, F. Thuaud, N. Ribeiro, L. Désaubry, & E. Espinosa Acta Cryst. (2013) E69, o52-o53. 2012 "Charge Density Analysis and Topological Properties of Hal3-Synthons and Their Comparison with Competing Hydrogen Bonds". M. E. Brezungova, E. Aubert, S. Dahaoui, P. Fertey, S. Lebègue, C. Jelsch, J. Angyan & E. Espinosa, Cryst. Growth Des. (2012), 12, 5373-5386. "HPLC Screening for Analytical and Multimilligram Enantioseparation of Atropisomeric 4,4’-Bipyridines on Polysaccharides-type Chiral Stationary Phases" P. Peluso, V. Mamane, E. Aubert, S. Cossu , J. Chromatogr. A (2012), 1251, 91-100. "Generation of Stereocenters Around a C3-Symmetric Cyclotriveratrylene Crown" J. Sansévérino, E. Aubert, E. Espinosa, J.-C. Chambron , Eur. J. Org. Chem. (2012), 2225-2230. doi: 10.1002/ejoc.201101780 "Synthesis, Resolution, and Absolute Configuration of Chiral 4,4’-Bipyridines" V. Mamane, E. Aubert, P. Peluso, S. Cossu , J. Org. Chem. (2012), 77, 2579-2583. doi: 10.1021/jo300286z "Double N-arylation reaction of polyhalogenated 4,4’-bipyridines. Expedious synthesis of functionalized 2,7-diazacarbazoles" M. Abboud, E. Aubert and V. Mamane, Beilstein J. Org. Chem. (2012), 8, 253-258. 2011 "Periodic projector augmented wave density functional calculations on the hexachlorobenzene crystal and comparison with the experimental multipolar charge density model" E. Aubert, S. Lebègue, M. Marsman, T.T.T. Bui, C. Jelsch, S. Dahaoui, E. Espinosa and J. Angyan, J. Phys. Chem. A (2011), 115, 14484 – 14494. "Sulfur-Incorporating Cyclotriveratrylene Analogues: The Synthesis of Cyclotrithioguaiacylene" J. Sanseverino, J.-C. Chambron, E. Aubert and E. Espinosa, J. Org. Chem. (2011), 76, 1914 – 1917. 2010 "Synthesis of new pentacyclic chromophores through a highly regio- and diastereoselective cascade process" Z. Chamas, O. Dietz, E. Aubert, Y. Fort, V. Mamane, Org.Biomol. Chem. (2010), 8, 4815 – 4818. "Nickel(II)-Dipeptidoamine-Based Tetrameric Complex: Structural Study in Solution and in Solid State" K. Selmeczi, P. Gizzi, D. Champmartin, P. Rubini, E. Aubert, S. Dahaoui, B. Henry, Inorg. Chem., (2010), 49 (18), 8222–8229. "Electrogeneration of highly methylated mesoporous silica thin films with vertically-aligned mesochannels and electrochemical monitoring of mass transport issues" Y. Guillemin, M. Etienne, E. Aubert, A. Walcarius, J. Mater. Chem., (2010), 20, 6799–6807. "Conformational disorder in 4-(5,5’-dibromo-2’-chloro-4,4’-bipyridyl-2-yl)-benzaldehyde: role of p-p and halogen interactions" M. Abboud, A. Kadimi, V. Mamane, E. Aubert, Acta Cryst. C, (2010), 66, o381-o384. "Synthesis of Polyhalogenated 4,4’-Bipyridines via a Simple Dimerization Procedure" M. Abboud, V. Mamane, E. Aubert, C. Lecomte, Y. Fort J. Org. Chem., (2010), 75, 3224–3231. "Kinetic Control in the Chiral Recognition of Three-Bladed Propellers" C. Bonnot, E. Aubert, N. Banerji, J. Lacour, E. Espinosa, J.-C. Chambron, Chem. Eur. J. (2010), 16, 5706 – 5711. "Effect of Substituents on the Molecular Shapes of pi-Basic Macrotricyclic Receptors" A. Lélias-Vanderperre, E. Aubert, J.-C. Chambron, E. Espinosa, Eur. J. Org. Chem. (2010) 2701-2708. 2009 "Synthesis and Stereochemical Properties of 'Extended' Biphenols Bridged by ortho-, meta, and para-Phenylene Spacers" M.M. Gruza, J.-C. Chambron, E. Espinosa, E. Aubert, Eur. J. Org. Chem. (2009) 6318-6327. "Oriented Mesoporous Silica Films Obtained by Electro-Assisted Self Assembly" A. Goux, M. Etienne, E. Aubert, C. Lecomte, J. Ghanbaja, A. Walcarius, Chem. Mater. (2009) 21 731-741 2008 "3-oxo-2-oxa-5-azabicylo[2.2.1]heptane-5-carboxylate" M. -C. Lechner, E. Aubert, G. Guichard, C. Didierjean, Acta Cryst. (2008) E64 o2039 2007 "Illustrated Fourier Transforms for crystallography" .pdf E. Aubert, C. Lecomte, J. Appl. Cryst. (2007) 40 1153-1165 "S-methyl 5-methylpyrazine-2-carbothioate" E. Aubert, V. Mamane, Y. Fort, Acta Cryst. (2007) E63 o4306-o4307 "7-Isopropyl-5-methyl-1,3,5-triazepan-2,6-dione deuterated chloroform 0.94-solvate" E. Aubert, G. Lena, M. Gellenoncourt, E. Durain, G. Guichard, C. Didierjean, Acta Cryst. (2007) E63 o2306-o2308 "The Methyl Group as a Source of Structural Diversity in Heterocyclic Chemistry: Side Chain Functionalizaztion of Picolines and Related Heterocycles" V. Mamane, E. Aubert, Y. Fort, J. Org. Chem. (2007) 72 7294-7300 2006 "Thin-film disorientation measurement using the single-crystal Nonius Kappa CCD diffractometer" .pdf sup.pdf E. Aubert, E. Wenger, M. Link, B. Assouar, C. Didierjean & C. Lecomte, J. Appl.. Cryst. (2006) 39 919–921 2005 "Charge density research: from inorganic and molecular materials to proteins" C. Lecomte, E. Aubert, V. Legrand, F. Porcher, S. Pillet, B. Guillot & C. Jelsch Z. Kristallogr. (2005) 220 373–384 2004 "Electrostatic potential and interaction energies of molecular entities occluded in the AlPO4-15 molecular sieve: determination from X-ray charge density analysis" E. Aubert, F. Porcher, M. Souhassou and C. Lecomte, J. Phys. Chem. Solids (2004), 65, 1943-1949 "Similarities between atomic properties in dense and open aluminophosphate sieves" A.V. Larin, F. Porcher, E. Aubert, M. Souhassou & D.P. Vercauteren, Recent Advances in the Science and Technology of Zeolites and Related Materials (Elsevier, Amsterdam, 2004) éd. E. Van Steen, L. Callanan & M. Claeys 479-485 2003 "Etude des interactions de molécules hôtes dans des zéolithes synthétiques par diffraction des rayons X à haute résolution" .pdf E. Aubert (2003). Thèse de l'Université Henri Poincaré Nancy-I "Characterization of intra-framework and guest/host interactions in the AlPO4-15 molecular sieve by charge-density analysis" .pdf E. Aubert, F. Porcher, M. Souhassou and C. Lecomte, Acta Cryst. (2003), B59, 687-700 2002 "Location of Fluoride Counterion in As-Synthesized Silicalite-1 by Single Crystal X-Ray Diffraction" E. Aubert, F. Porcher, M. Souhassou, V. Petrícek and C. Lecomte, J. Phys. Chem. B (2002), 106, 1110-1117 
Activités
d'enseignement• Cours magistral et travaux dirigés Mécanique du point, L1 Physique-Chimie (simulations - expériences virtuelles) • Oraux de Physique en L1 • TD Matiere Cristalline, M1 Physique & Matériaux • CM, TD et TP Transformées de Fourier Illustrées, L3 Physique-Chimie Illustrations sur des notions liées aux Transformées de Fourier (résolution, corrélation, convolution, pic de Dirac...) utilisant des images photographiques comme support. • TD et TP Physique appliquée aux sciences de la vie, L1 SV • TD Electrodynamique, L1 SM (visualisation champs / isopotentielles / symétries : Electrostatique - Magnétostatique) Quelques liens Professionnels IUCr : International Union of Crystallography AFC : Association Française de Cristallographie La photothèque du CNRS Outils logiciels XMaxima : Logiciel gratuit de mathématiques (tracé de courbes, calculs symboliques...) The Gimp : Logiciel gratuit de dessin DaDisp: Logiciel de traitement du signal. Une version avec des fonctionnalités limitées (taille des tableaux de données par exemple) est gratuite pour les étudiants. Importation directe d'image .bmp, FFT, convolutions... Digital Micrograph : Logiciel d'analyse d'image en microscopie électronique, fonctionnalités de FFT, convolution, masques... Une version limitée (pas de sauvegarde possible par exemple) est disponible gratuitement IrfanView : Logiciel (gratuit) de visualisation d'images Mappy : Localisation et recherche d'itinéraire "Autres" TLFi : Trésor de la Langue Française Informatisé Taschen : Editeur d'Arts Les éditions Diane de Selliers : une belle idée de cadeau! BCS : Bibliotheca Classica Selecta Gallica : Bibliothèque numérique (BNF) Les Belles Lettres Jardin Botanique du Montet (à coté de la Faculté des Sciences et Techniques)  |