2009

Publications

Advanced Materials 2009, 21, 1151–1154. Two photon absorption properties of functionalized - BODIPY dyes in the near infrared spectral range up to telecommunication wavelength. P.-A. BouChemit, K. Kamada, P. Feneyrou, G. Berginc, L. Toupet, O. Maury, C. Andraud.

Advanced Synthesis & Catalysis 2009, 351(13), 2168-2177. Valérie Salinier, J. M. Corker, Frédéric lefebvre, François Bayard, Véronique Dufaud and Jean-Marie Basset. "Silica Supported Zirconium Complexes and their Polyoligosilsesquioxane Analogues in the Transesterification of Acrylates: Part 1. Synthesis and Characterization".

Advanced Synthesis & Catalysis 2009, 351(13), 2055-2062. Nelly Batail, Anissa Bendjeriou, Thierry Lomberget, Roland Barret, Véronique Dufaud and Laurent Djakovitch. "First heterogeneous ligand and salt free Larock indole synthesis".

Angewandte Chemie International Edition 2009, 121, 47(9) 8978-8980. D. Loffreda, F. Delbecq, F. Vigné, P. Sautet, "Fast prediction of selectivity in heterogeneous catalysis from extended Brønsted-Evans-Polanyi relations: a theoretical insight."

Angewandte Chemie International Edition 2009, 48, 3082-3086. Crystal structure determination of powdered paramagnetic lanthanide complexes by proton NMR. G. Kerven, A. D’Aléo, L. Toupet, O. Maury, L. Emsley, G. Pintacuda.

Applied Catalysis, A: General 2009, 369(1-2), 125-132. Marie Genelot, Anissa Bendjeriou, Véronique Dufaud, Laurent Djakovitch. "Optimised procedures for the one-pot selective synthesis of indoxyls and 4-quinolones by a carbonylative Sonogashira/cyclisation sequence".

Bioorganic & Medicinal Chemistry 2009, 17, 3671-3679. Waibel, M.; Pitrat, D. ; Hasserodt J. , “On the Inhibition of HIV-1 Protease by Hydrazino-ureas Displaying the NC=O Interaction”.

Chemical Communications 2009, 32, 4841-4843. F. De Montigny, L. Guy, G. Pilet, N. Vanthuyne, C. Roussel, R. Lombardi, T. B. Freedman, L. A. Nafie and J. Crassous. "Subtle chirality in oxo- and sulfidorhenium(V) complexes".

Chemical Physics Letters 2009, 475, 120-123. P.-F. Loos, E. Dumont, A. D. Laurent, X. Assfeld, "Important effects of neighbouring nucleotides on electron induced DNA single-strand break.".

Chemical Physics Letters 2009, 481(4-6), 173-179. Geronimo, Inacrist; Cheron, Nicolas; Fleurat-Lessard, Paul; Dumont, Elise; "How does microhydration impact on structure, spectroscopy and formation of disulfide radical anions? An ab initio investigation on dimethyldisulfide."

Chemical Physics Letters 2009, 477, 32-36. P. Fleurat-Lessard, F. Volatron, "Structure of hexakis-methylthiobenzene : A theoretical study".

Chemical Reviews 2009, 109, 88-130. T. Brotin and J.-P. Dutasta. "Cryptophanes and their complexes — present and future".

Chemistry 2009, 15(39), 10070-82. Verat Alexander Yu; Ould-Moussa Nawel; Jeanneau Erwann; Le Guennic Boris; Bousseksou Azzedine; Borshch Serguei A; Matouzenko Galina S ; "Ligand strain and the nature of spin crossover in binuclear complexes: two-step spin crossover in a 4,4'-bipyridine-bridged iron(II) complex [{Fe(dpia)(NCS)(2)}(2)(4,4'-bpy)] (dpia = di(2-picolyl)amine; 4,4'-bpy = 4,4'-bipyridine)."

Chemistry - A European Journal 2009, 15, 1252-1260. G. S. Matouzenko, S. A. Borshch, E. Jeanneau, M. B. Bushuev, "Spin Crossover in a Family of Iron(II) Complexes with Hexadentate Ligands. Ligand Strain as a Factor Determining the Transition Temperature" .

European Journal of Organic Chemistry 2009,  1495 – 1498. Touti, F. ; Maurin, P. ; Hasserodt, J. “A tetrakis(tetrazolyl) analogue of EDTA”.

Green Chemistry 2009, 11(10), 1694-1702. Reine Sayah, Eric Framery and Véronique Dufaud. 3Asymmetric hydrogenation using Wilkinson-type rhodium complexes immobilized in mesoporous silica3.  DOI: 10.1039/B915563P.

Journal of Catalysis 2009, 265, 35-42. S. Laref, F. Delbecq, D. Loffreda, " Theoretical Elucidation of the Selectivity Changes for the Hydrogenation of Unsaturated Aldehydes on Pt(111)", .

Journal of Catalysis 2009, 267(2), 188-192. A. Martinez and J.-P. Dutasta. "Hemicryptophane-oxidovanadium(V) complexes: lead of a new class of efficient supramolecular catalysts".

Journal of Chemical Physics 2009, 130, 124702. M.-L. Bocquet and N. Lorente, "Probing the proton location in ice 2D / Pd interface by inelastic spectroscopy simulations", .

Journal of Chemical Physics 2009, 130, 124716/1-124716/9. C. Dupont, Y. Jugnet,  F. Delbecq, D. Loffreda, "Restructuring of the Pt3Sn(111) surfaces induced by atomic and molecular oxygen from first principles".

Journal of chemical physics 2009, 131(11), 114702. Kepenekian Mikael; Robert Vincent; Le Guennic Boris "What zeroth-order Hamiltonian for CASPT2 adiabatic energetics of Fe(II)N(6) architectures?"

Journal of Chemical Theory and Computation 2009, 5, 1506-1510. B. Le Guennic, N. Ben Amor, D. Maynau, V. Robert "Addressing Through-H Magnetic Interactions : A Comprehensive Analysis of such Efficient Coupler." .

Journal of Computational Chemistry 2009, 30(14), 2327-2333. Kepenekian, Mikael; Robert, Vincent; Le Guennic, Boris; De Graaf, Coen ; "Energetics of [Fe(NCH)₆]²⁺ via CASPT2 calculations: A spin-crossover perspective".

Journal of Chemical Theory and Computation 2009, 5, 1700-1708. E. Dumont, A. D. Laurent, P.-F. Loos, X. Assfeld, "Analyzing the selectivity and successiveness of a two-electron  capture on a multiply disulfide-linked protein.".

Journal of Materials Chemistry 2009, 19, 1142-1150.  Dufaud, V., Lefebvre, F., Niccolai, G. P., Aouine, M. Encapsulation and Stabilization of Heteropolyacids Inside the Pore Walls of Mesostructured Silica Materials

Journal of Materials Chemistry 2009. Stephan Guy, Laure Guy, Amina Bensalah-Ledoux, Antonio Pereira, Vincent Grenard, Olivier Cosso and Teophile Vautey. "Pure chiral organic thin films with high isotropic optical activity synthesized by UV pulsed laser deposition". DOI: 10.1039/b908104f

Journal of Materials Chemistry 2009. W.-J. Zhou, B. Albela, Meigui Ou, Pascal Perriat, Ming-Yuan He and L. Bonneviot “Framework and grafted nickel ethylenediamine complexes in 2D hexagonal mesostructured templated silica »,  DOI: 10.1039/b909759g.

Journal of Organic Chemistry 2009, 74, 3923-3926. B. Dubessy, S. Harthong, C. Aronica, D. Bouchu, M. Busi, E. Dalcanale and J.-P. Dutasta. "Self-complementary phosphonate cavitands".

Journal of Physical Chemistry A 2009, 113, 902-911. Sylvian Cadars, Anne Lesage, Chris J. Pickard, Philippe Sautet, and Lyndon Emsley, "Characterizing Slight Structural Disorder in Solids by Combined Solid-State NMR and First Principles Calculations", .

Journal of Physical Chemistry B 2009, 113, 3629. Capone, C. Pierleoni, J.-P. Hansen, and V. Krakoviack, “Entropic self-assembly of diblock copolymers into disordered and ordered micellar phases”, .

Journal of Physical Chemistry B 2009, 113, 6360. M. Holovko and W. Dong, “A highly accurate and analytic equation of state for a hard sphere fluid in random porous media”, .

Journal of Physical Chemistry C 2009, 113, 13947-13967. J. Haubrich, D. Loffreda, F. Delbecq, P. Sautet, A. Krupski, C. Becker, K. Wandelt "Adsorption of a-b unsaturated aldehydes on Pt(111) and Pt-Sn alloys (111). II. Crotonaldehyde", .

Journal of Physical Chemistry C 2009, 113 (40), pp 17566–17571. Laurence Petit, Laurence Lapalu, Philippe Sautet, "Self-assembly of diacid molecules : a theoretical aproach of molecular interactions".

Journal of Sol-Gel Science and Technology, 2009, 52, 146. L. Guy, T. Vautey, C. Le Luyer and S. Guy. "The use of LCMS as an analytical tool for hydrolysis/polycondensation monitoring of a chiral ORMOSIL precursor".

Journal of the American Chemical Society 2009, 131, 7344. D. Riedel , M.L. Bocquet,  H. Lesnard , M. Lastapis, N. Lorente, P. Sonnet, G. Dujardin, "Selective Scanning Tunnelling Microscope Electron-Induced Reactions of Single Biphenyl Molecules on a Si(100) Surface".

Journal of the American Chemical Society 2009, 131(32), 11498-11502. Kepenekian, Mikael; Le Guennic, Boris; Robert, Vincent; "Primary Role of the Electrostatic Contributions in a Rational Growth of Hysteresis Loop in Spin-Crossover Fe(II) Complexes."

Langmuir 2009, 25, 8400-8403. Benjamin Isare, Laurence Petit, Emmanuelle Bugnet, Régis Vincent, Laurence Lapalu, Philippe Sautet, Laurent Bouteiller,  "The weak help the strong: low molar mas organogelators harden bitumen".

Macromolecules 2009, 42, 392. V. Hugouvieux, M.A.V. Axelos, M. Kolb, “Amphiphilic Multiblock Copolymers: From Intramolecular Pearl Necklace to Layered Structures”.

Nature Materials, 2009, 8, 132-138. Lee, F. Delbecq, R. Morales, M. A. Albiter, F. Zaera , "Tuning Selectivity in Catalysis by Controlling Particle Shape", .

New Journal of Chemistry 2009, 33, 484-496. S. Abry, A. thibon, B. Albela, P.Delichère, F. Banse, L. Bonneviot, “Design of Grafted copper complex in mesoporous silicain defined coordination, hydrophobicity and confinement”, .

New Journal of Chemistry 2009, 33, 964-968. Dendron decorated cyanine dyes for optical limiting applications at telecommunication wavelengths. P.-A. Bouit, R. Westlund, P. Feneyrou, O. Maury, M. Malkoch, E. Malmström, C. Andraud, .

Organic and Biomolecular Chemistry 2009, 7, 3086-3090. Pierre-Antoine Bouit, Christophe Aronica, Laure Guy, Alexandre Martinez, Chantal Andraud and Olivier Maury. "Diastereoselective supramolecular ion-pairing between the TRISPHAT anion and pro-chiral heptamethine cyanine dyes".

Physical Chemistry Chemical Physics 2009, 11, 2912-2921. K. Zhang, B. Albela, M.-Y. He, L. Bonneviot, “Tetramethylammonium as masking agent for molecular patterning in the confined spec of the nano-channels of 2D hexagonal porous silicas”, .

Physical Chemistry Chemical Physics 2009, 11, 694-702. S. Zein, F. Delbecq, D. Simon, " A TD-DFT investigation of two-photon absorption of fluorene derivatives",  .

Physical Chemistry Chemical Physics 2009, 11(29), 6066-6071. Kepenekian, Mikael; Le Guennic, Boris; Awaga, Kunio; Robert, Vincent; "Ligands bonded to metal ion or through-metal interacting ligands? Analysis of unusual bonds formation in the (BDTA)₂[Co(mnt)₂] material".

Physical Review B 2009, 79, 045407. T. Brugger, S. Günther, B. Wang, H. Dil, M.-L. Bocquet, J. Osterwalder, J. Wintterlin and T. Greber, "Comparison of electronic structure and template function of single layer graphene and hexagonal boron nitride nanomesh on Ru(0001)", .

Physical Review B 2009,, 79, 094428. M. Képénékian, B. Le Guennic, V. Robert "Magnetic Bistability: from Microscopic to a Macroscopic Understandings of Hysteretic Behavior using ab initio Calculations" .

Physical Review B: 2009, 79(9), 094428/1-094428/5. Kepenekian, Mikael; Le Guennic, Boris; Awaga, Kunio; Robert, Vincent; "Magnetic bistability: From microscopic to macroscopic understandings of hysteretic behavior using ab initio calculations."

Physical Review E 2009,, 79, 061501. V. Krakoviack, “Tagged-particle dynamics in a fluid adsorbed in a disordered porous solid: Interplay between the diffusion-localization and liquid-glass transitions”.

Surface Science 2009,, 603, 1841. (Special G. Ertl Issue Paper). J. Wintterlin and M.-L. Bocquet, " Graphene on Metal Surfaces ", .

Surface Science 2009,, 603, 2526-2531. Rafael Añez, Aníbal Sierraalta, Guillermo Martorell, Philippe Sautet, "Stabilization of the (110) Tetragonal Zirconia surface by Hydroxyl Chemical Transformation".

Synthesis 2009,, 318-324. Waibel, M.; Zhang, X. ; Hasserodt J. , “Aspects to the Synthesis of an Exceptionally Preorganized Self-Immolative Spacer-Phenolate Unit”, .

Tetrahedron Letters 2009,, 50, 2767-2769. Waibel, M.; Hasserodt J., “Efficient synthesis and fluorescence properties of highly functionalized 2-aryl-quinazolin-4(3H)-ones”.

Topics in Catalysis 2009,, 52, 1005-1016. C. Chizallet, M. Digne, C. Arrouvel, P. Raybaud, F. Delbecq, G. Costentin, M. Che, P. Sautet, H. Toulhoat, "Insight into the geometry, stability and vibrational properties of OH groups on g-Al₂O₃, TiO₂-anatase and MgO from DFT calculations", .

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Books

M.-L. Bocquet, H. Lesnard, S. Monturet, N. Lorente, "Theory of elastic and inelastic electron tunneling ", in Computational Methods in Catalysis and Materials Science, Eds:van Santen and Sautet , 2009, Chap. 11, 195-213, Wiley.

R. Wischert, C. Copéret, F. Delbecq, P. Sautet, "Combining electronic structure calculations and spectroscopy to unravel the structure of grafted organometallic complexex”, in Computational Methods in Catalysis and Materials Science, Eds: van Santen and Sautet , 2009, Chap. 17, 359-374, Wiley.

E. J. Baerends, P. Sautet, R. van Santen, "Basic aspects of density Functional Theory", in Computational Methods in Catalysis and Materials Science, Eds: van Santen and Sautet , 2009, Chap. 17, 359-374, Wiley.

E. J. Baerends, P. Sautet, R. van Santen, Computational Methods in Catalysis and Materials Science, Eds: van Santen and Sautet , 2009, Wiley, Weinheim.



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Patents

Hasserodt J., Zhang, X. ; Waibel, M. (ENSL/University of Lyon/Lyon Sciences Transfer/CNRS) “Fluorogenic Peptidase Substrate”, European patent application EP09305579.6., june 19, 2009.

Demande de brevet n° DI 02306-01 (2009) Limiteur optique passif à materiau non lineaire G. Berginc, P. Feneyrou, P-A Bouit, O. Maury, C. Andraud.