Stéphane HUMBEL, ism2 institut des sciences moléculaires de marseille, équipe CTOM

Centre national de la recherche Scientifique

Prof. Stéphane HUMBEL

AMU iSm2 Service 561
Campus Scientifique de St Jérôme
13397 Marseille cedex 20

Téléphone : 0491 28 86 67

Fax : 0491 28 91 79

Courriel : stephane.humbel@univ-amu.fr

Autres sites Web : www.ctom.free.fr/
Site Master de Chimie : www.master-chimie.univ-cezanne.fr

Sites spécialisés :
1- Mésomérie et méthode de Huckel
2 - Aide à l'internationalisation java pour la traduction en unicode de glyphes arabe (avec ligature)

Parcours

1995 PhD in Orsay (Paris Sud) www.lcp.u-psud.fr "Breathing Orbital Valence Bond theory, application to 2c-3e bonding" PhD supervisor Dr P.C. Hiberty
1996 PostDoc in Atlanta (GA-USA) Integrated Methods development : IMOMO & ONIOM Supervisor Prof Dr K. Morokuma www.chemistry.emory.edu/faculty/morokuma.html
1997 Associated Prof in Reims University www.univ-reims.fr/ Short Strong Hydrogen Bond through resonating picture - Quantum computations on photochemistry or acid catalyzed Aldol reaction
2002 Prof at Université Paul Cézanne, Marseille Method developpment around mesomery and resonance in bonding - Applied quantum chemistry to specific questions.

Enseignements

- "Théorie des groupes et Symétries" en L2 SPC
- "Liaison chimique - Méthode de Hückel" en L3 SPC
- "Chimie Quantique et Orbitales Moléculaires" en 1A de l'Ecole Centrale de Marseille (ECM)
- "Méthode de Hückel" en Master Chimie M1 - parcours Physique & Chimie
- "Diagramme de correlation d'état" en Master Chimie M2R, parcours Chimie Informatique, Pole Sud-Est du label National de chimie théorique.

Thématiques

- Localisation/Délocalisation de la liaison chimique et de la corrélation : approches quantiques de type localisées (Valence Bond BOND) ou localisation d'approche délocalisées (HL-CI), méthodes hybrides ou méthodes intégrées (QM/QM - ONIOM).
- Chimie théorique appliquée a la réactivité chimique en chimie organique ou organométallique

Responsabilités administratives

- Responsable de l'Equipe CTOM de l'ISM2
- Responsable du Master Chimie des Universités d'Aix-Marseille et d'Avignon voir www.master-chimie.univ-cezanne.fr/

Publications

Titre	Auteurs
Bonding of Gold with Unsaturated Species	Nava, P., Hagebaum-Reignier, D. and Humbel, S. (2012), ChemPhysChem. doi: 10.1002/cphc.201101065
Dissociation characteristics of alpha,omega-dihydride poly(dimethylsiloxane) ammonium adducts generated by electrospray ionization	Thierry Fouquet, Stéphane Humbel, Laurence Charles Int. J. Mass Spectrom. 2011, 306, 70-76
Tandem Mass Spectrometry of Trimethylsilyl-Terminated Poly(Dimethylsiloxane) Ammonium Adducts Generated by Electrospray Ionization	Thierry Fouquet, Stéphane Humbel, Laurence Charles J. Am. Soc. Mass Spectrom. 2011, 22, 649-658
Do Platinum(II) and Palladium(II) Phosphinito Phosphinous Acids Generate the Same Type of Reactive Intermediate in Alkyne Coordination? A Gas-Phase Study with Phenylethyne and Propargyl Acetate	Magdalena Karanik, Denis Lesage, Yves Gimbert, Paola Nava, Stéphane Humbel, Laurent Giordano, Gérard Buono, Jean-Claude Tabet Organometallics, 2011, 30, 4814-4821
InIII-Catalysed Tandem C–C and C–O Bond Formation between Phenols and Allylic Acetates	Vito Vece, Jérémy Ricci, Sophie Poulain-Martini, Paola Nava, Yannick Carissan, Stéphane Humbel, Elisabet Duñach Eur. J. Org. Chem. 2010, 6239–6248
Role of the Adducted Cation in the Release of Nitroxide End Group of Controlled Polymer in Mass Spectrometry	M. Mazarin, M., Girod, S. Viel, T. Phan, S. Marque, S. Humbel, L. Charles Macromolecules 2009, 42, 1849-1859
Gas-Phase Study of Phenylacetylene and Norbornadiene on a Palladium(II) Phosphinous Acid Complex: Importance of the Order of Introduction of the Organic Partners	R. Thota, D. Lesage, Y. Gimbert, L. Giordano, S. Humbel, A. Milet, G. Buono, J.C. Tabet Organometallics 2009, 28, 2735–2743
A theoretical and NMR experimental study of N1,N3-di(3-aminoacridin-6- yl)-isophthalamide and N2,N6-di(3-aminoacridin-6-yl)-2,6- dicarboxamide	Y. Benchabane, G. Boyer, S. Humbel, I. Alkorta, J. Elguero Journal of Molecular Structure, 2009, 928, 132-137
Labile ligands on some Lewis super acids: a computational study	P. Nava, Y. Carissan, S. Humbel, Phys. Chem. Chem. Phys. 2009, 11, 7130-7136
Modelling the two-dimensional polymerization of 1,4 benzene diboronic acid (BDBA) on Ag surface	M. Sassi, V. Oison, J.M. Debierre, S. Humbel ChemPhysChem 2009, 10, 2480-2485.
Differentiation of heterocyclic regioisomers: a combined tandem mass spectrometry and computational study of N-acridin-4-ylbenzylamide and N-acridin-2-ylbenzylamide	A. Tintaru, Y. Benchabane, G. Boyer, S. Humbel and L. Charles ; Rapid Commun Mass Spectrom., 2008, 22, 687-693.
Tandem mass spectrometry of doubly charged poly(ethylene oxide) oligomers produced by electrospray ionization	M. Girod, Y. Carissan, S. Humbel, L. Charles Int. J. Mass Spectrom. 2008, 272, 1-11
Hückel-Lewis-Projection Method: A “Weights Watcher” for Mesomeric Structures	Y. Carissan, D. Hagebaum-Reignier, N. Goudard, S. Humbel J. Phys. Chem. A. 2008, 118 (50), 13256–13262.
The Nature of Resonance in Allyl Ions and Radical	M. Linares, S. Humbel, B. Braïda - J. Phys. Chem. A. 2008 , 118 (50), 13249–13255
Differentiation of heterocyclic regioisomers: a combined tandem mass spectrometry and computational study of N-acridin-4-ylbenzylamide and N-acridin-2-ylbenzylamide	A. Tintaru, Y. Benchabane, G. Boyer, S. Humbel, L. Charles - Rapid Commun Mass Spectrom. 2008, 22, 687-693.
Quantifying pi Effects Through a Lewis Valence Bond Approach: Application to Haloallyl and carbonyl Cations	M. Linares, B. Braïda, S. Humbel Faraday Discussions 2007, 135, 273-283.
Getting the Weights of Lewis Structures out of Hückel Theory. Hückel-Lewis Configuration Interaction (HL-CI)	S. Humbel J. Chem. Educ. 2007, 84, 1056-1061.
Hückel Theory for Lewis Structures: Hückel-Lewis Configuration Interaction (HL-CI)	D. Hagebaum-Reignier, R. Girardi, Y. Carissan, S. Humbel J. Mol. Struct. (THEOCHEM) 2007, 817, 99-109.
Valence Bond Approach of Metal Ligand Bonding in the Dewar-Chatt-Duncanson Model	M. Linares, B. Braïda, S. Humbel Inorg. Chem 2007, 46, 11390-11396
Lewis-Based Valence Bond Scheme: Application to the Allyl Cation	M. Linares, B. Braïda, S. Humbel J. Phys. Chem. A 2006, 110, 2505-2509.
Reactivity of Dialkylzirconium Species and Solvent Polarity	E. Derat, J. Bouquant, P. Bertus, J. Szymoniak, S. Humbel Int. J. Quant. Chem. 2006, 106, 704-711
Lewis-Based Valence Bond Scheme: Application to the Allyl Cation	M. Linares, B. Braïda, S. Humbel J. Phys. Chem. A 2006, 110, 2505-2509.
Theoretical study of the semi-hydrogenation of alkynes catalyzed by Pd(0) complexes: Is a zwitterionic pathway possible?	A. Dedieu, S. Humbel, C.J. Elsevier, C. Grauffel Theor. Chem. Acc. 2004, 112(4), 305-312.
Hydrometalation or Condensation in the Reaction of Cl2ZrEt2 with H2CO. A Theoretical Account.	E. Derat, J. Bouquant, P. Bertus, J. Szymoniak, S. Humbel, Organometallics 2004, 23, 2892-2899
On the Link Atom Distance in the ONIOM Scheme, An Harmonic Approximation Analysis	E. Derat, J. Bouquant and S. Humbel, J. Mol. Struct. Theochem 2003, 632, 61-69.
Configurational Stability of Chlorophosphines,	S. Humbel, C. Bertrand, C. Darcel, C. Bauduin, S. Jugé Inorg. Chem. 2003, 42, 420-427.
Trans-Bis-[(-)ephedrinate]-palladiumII Complex: Synthesis and Molecular Modeling	S. Bouquillon, S. Humbel, F. Hénin, and J. Muzart, J. Organomet. Chem. 2003, 687, 377-383.

Page modifiée le Mardi 19 Juillet, 2011