Aurélien Moncomble

maître de conférences - Theoretical chemistry
CNU : SECTION 31 - CHIMIE THEORIQUE, PHYSIQUE, ANALYTIQUE

Aurélien Moncomble

maître de conférences - Theoretical chemistry

Publications


Article dans des revues

  • Parth Patel, Juan Arias, Renan Gongora, Florencio Hernandez, Aurélien Moncomble, et al.. Visible light-triggered fluorescence and pH modulation using metastable-state photoacids and BODIPY. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2018, 20 (42), pp.26804 - 26808. ⟨10.1039/C8CP03977A⟩. ⟨hal-01920077⟩
  • Aurélien Moncomble, Cécilia Falantin, Jean-Paul Cornard. Electronic Spectroscopies Combined with Quantum Chemistry Calculations: Study of the Interactions of 3-Hydroxyflavone with Copper Ions. Journal of Physical Chemistry B, American Chemical Society, 2018, 122 (38), pp.8943 - 8951. ⟨10.1021/acs.jpcb.8b06062⟩. ⟨hal-01920080⟩
  • Aurélien Moncomble, Diksha Jani Thaviligadu, Anaëlle Raoumbé Djendja, Jean-Paul Cornard. The crucial role of the inter-ring hydrogen bond to explain the properties of morin. New Journal of Chemistry, Royal Society of Chemistry, 2018, 42 (10), pp.7691 - 7702. ⟨10.1039/C7NJ04579D⟩. ⟨hal-01802543⟩
  • S. Sobanska, G. Billon, P. Coddeville, J.P. Cornard, P. Desgroux, et al.. Chimie et environnement. L'Actualité Chimique, Société chimique de France, 2017, 420, pp.23 - 28. ⟨hal-01586682⟩
  • A. Moncomble, J.P. Cornard, M. Meyer. A quantum chemistry evaluation of the stereochemical activity of the lone pair in PbII complexes with sequestering ligands. Journal of Molecular Modeling, Springer Verlag (Germany), 2017, 23, pp.24-1 - 24-13. ⟨10.1007/s00894-016-3190-y⟩. ⟨hal-01505428⟩
  • Cécilia Falantin, Aurélien Moncomble, Annaïg Le Person, Jean-Paul Cornard. Chalcogen substitution: Effect of oxygen-by-sulfur exchange on structural and spectroscopic properties of flavonols. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Elsevier, 2017, 187, pp.49 - 60. ⟨10.1016/j.saa.2017.06.022⟩. ⟨hal-01579861⟩
  • Yann Bourne-Branchu, Aurélien Moncomble, Martin Corpet, Grégory Danoun, Corinne Gosmini. Cobalt-Catalyzed Oxidative Homocoupling of Arylzinc Species. SYNTHESIS, Georg Thieme Verlag, 2016, 48 (19), pp.3352-3356. ⟨10.1055/s-0035-1562488⟩. ⟨hal-02000533⟩
  • A. Le Person, M. Siampiringue, M. Sarakha, A. Moncomble, J.P. Cornard. The photo-degradation of mesotrione, a triketone herbicide, in the presence of CuII ions. Journal of Photochemistry and Photobiology A: Chemistry, Elsevier, 2016, 315, pp.76 - 86. ⟨10.1016/j.jphotochem.2015.09.010⟩. ⟨hal-01222845⟩
  • A. Moncomble, Vincent Tognetti. Les multiples visages des orbitales moléculaires. Bulletin de l'Union des Physiciens, 2016, 110, pp.1139-1165. ⟨hal-01389145⟩
  • K. Adjir, M. Sekkal-Rahal, A. Moncomble, J.P. Cornard. Spectral properties of α and β L Rhamno-Indigo molecules and activities prediction through NBO analysis. A DFT study. Zeitschrift für Physikalische Chemie, Oldenbourg Verlag, 2016, 230, pp.883 - 908. ⟨10.1515/zpch-2015-0709⟩. ⟨hal-01348658⟩
  • A. Le Person, A. Moissette, M. Hureau, J.P. Cornard, A. Moncomble, et al.. Sorption of 3-hydroxyflavone within channel type zeolites: The effect of confinement on copper(II) complexation. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2016, 18, pp.26107 - 26116. ⟨10.1039/c6cp03839e⟩. ⟨hal-01388454⟩
  • Fatima Rebih, Manuel Andreini, A. Moncomble, Anne Harrison-Marchand, Jacques Maddaluno, et al.. Direct carboxylation of aryl tosylates by CO2 Catalyzed by In situ-generated Ni0. Chemistry - A European Journal, Wiley-VCH Verlag, 2016, 22 (11), pp.3758-3763. ⟨10.1002/chem.201503926⟩. ⟨hal-01285668⟩
  • G. Deblonde, A. Moncomble, G. Cote, S. Bélair, A. Chagnes. Experimental and computational exploration of the UV-visible properties of hexaniobate and hexatantalate ions. RSC Advances, Royal Society of Chemistry, 2015, 5, pp.7619 - 7627. ⟨10.1039/c4ra14866e⟩. ⟨hal-01135509⟩
  • S. Brandès, A. Sornosa-Ten, Y. Rousselin, M. Lagrelette, C. Stern, et al.. Conformational and structural studies of N-methylacetohydroxamic acid and of its mono- and bis-chelated uranium(VI) complexes. Journal of Inorganic Biochemistry, Elsevier, 2015, 151, pp.164 - 175. ⟨10.1016/j.jinorgbio.2015.06.002⟩. ⟨hal-01244403⟩
  • S. Boumendil, J.P. Cornard, M. Sekkal-Rahal, A. Moncomble. Solvent effects to compute UV-vis spectra for ionic metal complexes. Chemical Physics Letters, Elsevier, 2015, 636, pp.39 - 45. ⟨10.1016/j.cplett.2015.07.019⟩. ⟨hal-01195978⟩
  • A. Le Person, A. Moncomble, J.P. Cornard. The complexation of AlIII, PbII, and CuII metal ions by esculetin: a spectroscopic and theoretical approach. Journal of Physical Chemistry A, American Chemical Society, 2014, 118, pp.2646-2655. ⟨10.1021/jp412291z⟩. ⟨hal-00987575⟩
  • A. Moncomble, Vincent Tognetti. Fonctions de Fukui : un outil pour l'étude de la réactivité chimique. Bulletin de l'Union des Professeurs de Physique et de Chimie, 2014, 108, pp.239-254. ⟨hal-01063736⟩
  • A. Moncomble, J.P. Cornard. Elucidation of complexation multi-equilibrium with MgII and a multisite ligand. A combined electronic spectroscopies and DFT investigation. RSC Advances, Royal Society of Chemistry, 2014, 4, pp.29050 - 29061. ⟨10.1039/C4RA05048G⟩. ⟨hal-01026228⟩
  • A. Aillerie, V.L.D. Talancé, A. Moncomble, T. Bousquet, L. Pélinski. Enantioselective organocatalytic partial transfer hydrogenation of lactone-fused quinolines. Organic Letters, American Chemical Society, 2014, 16, pp.2982-2985. ⟨10.1021/ol5011196⟩. ⟨hal-01011275⟩
  • G. Lewin, A. Maciuk, A. Moncomble, J.P. Cornard. Enhancement of the water solubility of flavone glycosides by disruption of molecular planarity of the aglycone moiety. Journal of Natural Products, American Chemical Society, 2013, 76, pp.8 - 12. ⟨10.1021/np300460a⟩. ⟨hal-00784343⟩
  • A. Chagnes, A. Moncomble, G. Cote. In-silico calculations as a helpful tool for designing new extractants in liquid-liquid extraction. Solvent Extraction and Ion Exchange, Taylor & Francis, 2013, 31, pp.499 - 518. ⟨10.1080/07366299.2013.775884⟩. ⟨hal-00860863⟩
  • Aurelien Moncomble, Pascal Le Floch, Agusti Lledós, Corinne Gosmini. Cobalt-Catalyzed Vinylation of Aromatic Halides Using beta-Halostyrene: Experimental and DFT Studies. Journal of Organic Chemistry, American Chemical Society, 2012, 77, pp.5056-5062. ⟨10.1021/jo3005149⟩. ⟨hal-00905051⟩
  • S. Say-Liang-Fat, J.P. Cornard, A. Moncomble. Study on chrysazin-aluminium(III) interaction in solution by spectroscopy and quantum chemical calculations. Polyhedron, Elsevier, 2012, 48, pp.237 - 244. ⟨10.1016/j.poly.2012.08.067⟩. ⟨hal-00763654⟩
  • Corinne Gosmini, Aurélien Moncomble. Cobalt-catalyzed Cross-coupling Reactions of aryl halides. Israel Journal of Chemistry, Wiley-VCH Verlag, 2010, pp.DOI: 10.1002/ijch.201000032. ⟨hal-00531445⟩
  • Corinne Gosmini, Aurélien Moncomble. Cobalt-catalysed cross-coupling reactions aryl halides (pub). Israel Journal of Chemistry, Wiley-VCH Verlag, 2010, 50, pp.568-576. ⟨hal-00577157⟩
  • Aurélien Moncomble, Pascal Le Floch, Corinne Gosmini. Cobalt-Catalyzed Formation of Symmetrical Biaryls and Its Mechanism. Chemistry - A European Journal, Wiley-VCH Verlag, 2009, 15, pp.4770-4774. ⟨hal-00385124⟩
  • Corinne Gosmini, Jeanne-Marie Begouin, Aurelien Moncomble. Cobalt-catalyzed cross-coupling reactions. Chemical Communications, Royal Society of Chemistry, 2008, 28, pp.3221-3233. ⟨hal-00305259⟩

Communication dans un congrès

  • Diksha Jani Thaviligadu, Aurélien Moncomble, Jean-Paul Cornard. Complexation des cations zinc, manganèse et calcium par des flavonols. Rencontres des Chimistes Théoriciens Francophones 2018, Oct 2018, Toulouse, France. ⟨hal-01909714⟩
  • Diksha Jani Thaviligadu, Aurélien Moncomble, Jean-Paul Cornard. Primary studies of the excited states of polycyclic aromatic hydrocarbons to decipher dual fluorescence. Journées Nord Ouest Européennes des Jeunes Chercheurs 2018, Jun 2018, Villeneuve d’Ascq, France. ⟨hal-01909711⟩
  • A. Moncomble, D. Jani Thaviligadu, J.P. Cornard. Complexation of two divalent cations with a multisite flavonoid ligand. ISMEC 2017 - International Symposium on Metal Complexes, Jun 2017, Dijon, France. ⟨hal-01579484⟩
  • A. Moncomble, J.P. Cornard. Modeling natural compound models in soils: an application of quantum chemistry to better understand their interactions in the environment. CPC16 - Chemical Physics Conference, Oct 2016, Nancy, France. ⟨hal-01389461⟩
  • A. Moncomble, J.P. Cornard. Influence of a sequester ligand on the activity of a lone pair of PbII cation. ESCB1 - First European Symposium on Chemical Bonding, Sep 2016, Rouen, France. ⟨hal-01387976⟩
  • C. Falantin, A. Le Person, A. Moncomble, J.P. Cornard. Comparison of metal complexing properties of 3-hydroxyflavone and 3-hydroxyflavothione by molecular spectroscopy. International Conference on Polyphenols, Jul 2016, Vienne, Austria. ⟨hal-01387916⟩
  • A. Le Person, A. Moissette, M. Hureau, A. Kokaislova, A. Moncomble, et al.. Photoreactivity and metal complexation of 3-hydroxyflavone: highlighting of the confinement effect in zeolite by comparison with solution. International Conference on Polyphenols, Jul 2016, Vienne, Austria. ⟨hal-01387973⟩
  • A. Moncomble, J.P. Cornard. Toute la lumière sur la quercétine et ses complexes métalliques en solution. Journées SCF Centre-Ouest 2016, Mar 2016, Poitiers, France. ⟨hal-01297891⟩
  • A. Moncomble, J.P. Cornard, S. Boumendil, M. Sekkal-Rahal. Solvent effects to compute UV-vis spectra for ionic metal complexes. 16th International Conference on Density Functional Theory and its Applications, Sep 2015, Debrecen, Hungary. ⟨hal-01195938⟩
  • G. Deblonde, N. Delaunay, A. Moncomble, A. Chagnes, G. Cote. Speciation of niobium and tantalum in alkaline media. ACS National Meeting Fall, Aug 2015, Boston, United States. ⟨hal-01187179⟩
  • A. Moncomble, J.P. Cornard. Elucidation of metal complex structures by TD-DFT calculations coupled with electronic spectroscopies. TCSBS - Theory and Computation in Sciences and Bio-Sciences, Nov 2014, Tlemcen, Algeria. ⟨hal-01163783⟩
  • A. Moncomble, J.P. Cornard. Coexistence of several metal complexes involving a multisite ligand: evidences from TD-DFT and electronic spectroscopies investigations. 50th Symposium on Theoretical Chemistry, Sep 2014, Vienne, Austria. ⟨hal-01062971⟩
  • G. Deblonde, A. Chagnes, G. Cote, S. Belair, A. Moncomble, et al.. UV-vis and solid state MAS NMR as efficient techniques to investigate niobium and tantalum speciation in alkaline media. 6th International Conference of Hydrometallurgy, Aug 2014, Pékin, China. ⟨hal-01187175⟩
  • G. Deblonde, A. Chagnes, G. Cote, S. Belair, A. Moncomble. UV-visible properties of hexaniobate compounds. Frontiers in Metal Oxide Cluster Science 2014, Jul 2014, Maffliers, France. ⟨hal-01061800⟩
  • A. Moncomble, J.P. Cornard. Étude de complexes binucléaires d'aluminium par TD-DFT. 14ème Rencontre des Chimistes Théoriciens Francophones, Jul 2014, Paris, France. ⟨hal-01061789⟩
  • T. Guillon, A. Moncomble, A. Chagnes, G. Cote. Modèle physicochimique de la dégradation d'amines lors de l'extraction de l'uranium. 14ème Rencontre des Chimistes Théoriciens Francophones, Jul 2014, Paris, France. ⟨hal-01061796⟩
  • A. Moncomble. La densité électronique : utilisation directe en chimie quantique. Journées de Chimie X-ENS, May 2014, Palaiseau, France. ⟨hal-01062965⟩
  • A. Moncomble, J.P. Cornard. TD-DFT and electronic spectroscopy: a powerful combination for structural assignment. Illustration by the quercetin complexation. 10th International Conference of Computational Methods in Sciences and Engineering, Apr 2014, Athènes, Greece. ⟨hal-01061781⟩
  • A. Moncomble, J.P. Cornard, A. Le Person. Study of the interaction between metallic cations and protocatechuic acid isomers. TD-DFT Conference, Apr 2013, Nantes, France. ⟨hal-00830682⟩
  • S. Say-Liang-Fat, J.P. Cornard, A. Moncomble. Spectroscopic and theoretical studies of metal ions complexation by some model polyphenols of humis substances. Towards a better understanding of metal retention in soils. International Conference on Polyphenols, Jul 2012, Florence, Italy. ⟨hal-00740100⟩
  • A. Moncomble, S. Say-Liang-Fat, J.P. Cornard. Études de l'interaction entre cations métalliques et composants modèles des sols. 13ème Rencontre des Chimistes Théoriciens Francophones, Jul 2012, Marseille, France. ⟨hal-00740096⟩
  • G. Lewin, A. Maciuk, A. Moncomble, J.P. Cornard. Emergence of high aqueous solubility for some natural flavone glycosides by disruption of molecular planarity. International Congress on Natural Products Research, Jul 2012, New-York, United States. ⟨hal-00740104⟩
  • Aurélien Moncomble, Pascal Le Floch, Corinne Gosmini. Cobalt-catalyzed formation of symmetrical biaryls (affiche). Journées de chimie organique, Sep 2010, France. ⟨hal-00531459⟩
  • Aurélien Moncomble, Pascal Le Floch, Corinne Gosmini. Cobalt-Catalysed Vinylation of Aromatic Halides (affiche). Rencontres de chimie organique, Apr 2010, France. ⟨hal-00531456⟩
  • Aurélien Moncomble, Pascal Le Floch, Corinne Gosmini. Vinylation réductrice catalysée par le cobalt (affiche). Journées de chimie de coordination, Jan 2010, France. ⟨hal-00531454⟩
  • Aurélien Moncomble, Pascal Le Floch, Corinne Gosmini. Formation de biaryles symétriques par catalyse au cobalt. 7èmes Rencontres de Chimie Organique, Apr 2009, Paris, France. ⟨hal-00385144⟩
  • Aurélien Moncomble, Corinne Gosmini, Pascal Le Floch. Etude théorique et expérimentale de la formation de biaryles symétriques par catalyse au cobalt. Sajec 2008, Oct 2008, Batz-sur-mer, France. ⟨hal-00361755⟩
  • Corinne Gosmini, Muriel Amatore, Aurélien Moncomble. Formation de biaryles par catalyse au cobalt. GECO 2008, Aug 2008, Seillac, France. ⟨hal-00361747⟩
  • Corinne Gosmini, Muriel Amatore, Aurélien Moncomble, Pascal Le Floch. Formation de biaryles symétriques et disymétriques par catalyse au cobalt (affiche). GECOM CONCOORD 2008, May 2008, Dourdan, France. ⟨hal-00362551⟩
  • Aurélien Moncomble. SAJEC 2007 affiche. Etude théorique et expérimentale de la formation de biaryle catalysée par des complexes de cobalt, Oct 2007, La Brosse Montceaux, France. ⟨hal-00198666⟩
  • Aurélien Moncomble. Journées de Chimie Organique 2007 affiche. Etude théorique et expérimentale de la formation de biaryle catalysé par des complexes de cobalt, Sep 2007, Palaiseau, France. ⟨hal-00198592⟩

Poster

  • Aurélien Moncomble, Diksha Jani Thaviligadu, Jean-Paul Cornard. Theoretical and experimental studies on the complexation of fourth period divalent cations with flavonoids. European Symposium on Chemical Bonding 2, Sep 2018, Oviedo, Spain. ⟨hal-01909732⟩
  • Diksha Jani Thaviligadu, Aurélien Moncomble, Jean-Paul Cornard. Study of Mn(II)-flavonoids systems by spectroscopy and quantum chemistry calculations. 16th International Congress of Quantum Chemistry, Jun 2018, Menton, France. ⟨hal-01909731⟩
  • Aurélien Moncomble, Diksha Jani Thaviligadu, Jean-Paul Cornard. Étude théorique et expérimentale de la complexation du cation ZnII avec la morine. Journées "Théorie, Modélisation et Simulations" 2018, May 2018, Paris, France. ⟨hal-01909728⟩
  • Aurélien Moncomble, Cécilia Falantin, Annaïg Le Person, Jean-Paul Cornard. Effect of oxygen-by-sulfur exchange on desexcitation pathways in flavonols. Workshop for Young Researchers on Photo-active materials with Cooperative and Synergetic Responses, Mar 2018, Villeneuve d’Ascq, France. ⟨hal-01909725⟩
  • Diksha Jani Thaviligadu, Aurélien Moncomble, Jean-Paul Cornard. From the ground state to the excited states of polycyclic aromatic hydrocarbons with DFT and TD-DFT. Workshop for Young Researchers on Photo-active materials with Cooperative and Synergetic Responses 2018, Mar 2018, Villeneuve d’Ascq, France. ⟨hal-01909722⟩
  • Lucie Duplouy, Matthieu Hureau, Aurélien Moncomble, Alain Moissette, Vincent de Waele. Electron Transfer and Charge Delocalization in Host-guest Zeolitic Materials Probed by Femtosecond mid-IR Spectroscopy. GFZ Congress 2018, Mar 2018, Cabourg, France. ⟨hal-01912731⟩
  • A. Moncomble, D. Jani Thaviligadu, J.P. Cornard. Complexation of some divalent cations with morin: a spectroscopic and theoretical study. WATOC 2017 - 11th Triennial Congress of the World Association of Theoretical and Computational Chemistry, Sep 2017, Munich, Germany. ⟨hal-01586651⟩
  • D. Jani Thaviligadu, A. Moncomble, J.P. Cornard. The study of the complexation of manganese with morin: a theoretical and experimental approach. JNOEJC 2017 - Journée Nord Ouest Européenne des Jeunes Chercheurs, Jun 2017, Caen, France. ⟨hal-01580087⟩
  • C. Falantin, A. Le Person, A. Moncomble, J.P. Cornard. Influcence of oxygen-by-sulfur substitution on the complexation of environmental intesrest metals by model compounds of organic matter. ISMEC 2017 - International Symposium on Metal Complexes, Jun 2017, Dijon, France. ⟨hal-01580089⟩
  • A. Moissette, M. Hureau, A. Le Person, A. Kokaislova, J.P. Cornard, et al.. 3-hydroxyflavone sorption within channel-type zeolites: proton transfer and metal complexation. International Zeolite Conference, Jun 2016, Rio de Janeiro, Brazil. ⟨hal-01387323⟩
  • A. Le Person, A. Moissette, M. Hureau, A. Kokaislova, A. Moncomble, et al.. Effet du confinement sur la complexation métallique de Cu(II) et Zn(II) par la 3-hydroxyflavone adsorbée dans des zéolithes de type ZSM-5 et MOR. 32ème Réunion Annuelle du Groupe Français des Zéolithes, Mar 2016, Montpellier, France. ⟨hal-01389453⟩
  • A. Moncomble, C. Falantin, A. Le Person, J.P. Cornard. Complexation de la 3-hydroxyflavone avec le cation CuII : élucidation structurale en solution méthanolique. RCTF 2016, 2016, Lyon, France. ⟨hal-01348825⟩
  • A. Le Person, M. Siampiringue, M Sarakha, A. Moncomble, J.P. Cornard. The photo-degradation of mesotrione, a triketone herbicide, in the presence of CuII ions. 21st International Symposium on the Photochemistry and Photophysics of Coordination Compounds, Jul 2015, Cracovie, Poland. ⟨hal-01246221⟩
  • A. Moncomble, J.P. Cornard. TD-DFT and electronic spectroscopies investigations of quercetine complexation with two divalent cations. MPM - Modeling Photoactive Molecules, Apr 2015, Nantes, France. ⟨hal-01163793⟩
  • S. Boumendil, A. Moncomble, J.P. Cornard, M. Sekkal-Rahal. Influence of the used solvation model on the computation of electronic spectra of metal complexes: the example of Al(III)-caffeic acid system. TCSBS - Theory and Computation in Sciences and Bio-Sciences, Nov 2014, Tlemcen, Algeria. ⟨hal-01163789⟩

Thèse

  • Aurélien Moncomble, Corinne Gosmini. Étude théorique et expérimentale de la formation de quelques liaisons carbone-carbone par catalyse au cobalt à partir d'halogénures aromatiques. Catalyse. Ecole Polytechnique X, 2010. Français. ⟨pastel-00569164⟩