2014

2014

A European Journal  2014, 20, 8636 – 8646.
Comparative analysis of conjugated alkynyl chromophore‐triazacyclononane ligands for sensitized emission of europium and terbium M. Soulié, F.Latzko, E. Bourrier,  V. Placide, S. J. Butler, R. Pal,  J. W. Walton,  P. L. Baldeck,  B. Le Guennic,  C. Andraud,  J. M. Zwier, L. Lamarque,  D. Parker, O. Maury Chemistry.

ACS Catalysis, 2014, 4, 1, 53-62.
Highly Selective Liquid-Phase Oxidation of Cyclohexane to KA Oil over Ti-MWW Catalyst: Evidence of Formation of Oxyl Radicals W.-J. Zhou, R. Wischert, K. Xue, Y.-T. Zheng, B. Albela, L. Bonneviot, J.-M. Clacens, F. De Campo, M. Pera-Titus, P. Wu.

ACS Catalysis, 2014, 4, 464–468
J. Zaffran, C. Michel, F. Auneau, F. Delbecq, and P. Sautet. Linear Energy Relations As Predictive Tools for Polyalcohol Catalytic Reactivity.

ACS Catalysis, (2014),8
H. Petitjean, H. Guesmi, H. Lauron-Pernot, G. Costentin, D. Loffreda, P. Sautet, and F. Delbecq, "How surface accepted.hydroxyl enhance MgO reactivity in basic catalysis: the case of MBOH conversion",

ACS Sustainable Chemistry & Engineering 2014, Article ASAP, Published Online: DOI: 10.1021/sc5000682 http://pubs.acs.org/doi/abs/10.1021/sc5000682A.
Procopio, M. Oliverio, P. Costanzo, M. Nardi and I. Rivalta. Facile Ecofriendly Synthesis of Monastrol and Its Structural Isomers via Biginelli Reaction.

Anal. Chem. 2014, 86, 1783-1788.
N. Tassali, N. Kotera, C. Boutin, E. Leonce, Y. Boulard, B. Rousseau, E. Dubost, F. Taran, T. Brotin, J.-P. Dutasta and P. Berthault. Smart Detection of Toxic Metal Ions - Pb2+ and Cd2+ - using a 129Xe NMR-based Sensor.

Andersen Chem. Mat. 2014, 26, 1062–1073.
Near-IR Two-Photon Microscopy Imaging of Silica Nanoparticles Functionalized with Isolated Sensitized Yb(III) Centers. G. Lapadula, A. Bourdolle, F. Allouche, M. P. Conley, I. del Rosal, L. Maron, W. W. Lukens, Y. Guyot, C. Andraud, S. Brasselet, C. Copéret, O. Maury, R. A.

Angew. Chem. (in german) 2014, 126, 60-75.
J. Hasserodt, J. L.  Kolanowski, F. Touti, Magnetogenesis in Water Induced by a Chemical Analyte, invited review article, Angew. Chem. Int. Ed. 2014, 53, 60-73 and Magnetogenese in Wasser ausgelöst durch einen chemischen Analyten

Angew. Chem. Int. Ed., (2014) 53, p. 8316.
Front Cover F. Calle-Vallejo, J. I. Martínez, J. M. García-Lastra, P. Sautet and D. Loffreda. Fast Prediction of Adsorption Properties for Platinum Nanocatalysts with Generalized Coordination Numbers.

Angew. Chem. Int. Ed., 2014, 53, 2504-7. VIP article.
G. Cerullo, D. Polli, O. Weingart, D. Brida, E. Poli, M. Maiuri, K. M. Spillane, A. Bottoni, P. Kukura, R. A. Mathies and M. Garavelli. Wavepacket Splitting and Two-pathway Deactivation in the Photoexcited Visual Pigment Isorhodopsin.

Bioconjugate Chem. 2014, 25 (4), 773–787.
Red Emitting Neutral Fluorescent Glycoconjugates for Membrane Optical Imaging S. Redon, J. Massin, S. Pouvreau, E. DeMeulenaere, K. Clays, Y. Queneau, C. Andraud, A. Girard-Egrot, Y. Bretonnière, S. Chambert

C. R. Chimie 2014, In press.
C. Kahlfuss, E. Métay, M.-C. Duclos, M. Lemaire, M. Oltean, A. Milet, E. Saint-Aman, C. Bucher. Reversible Dimerization of Viologen Radicals Covalently Linked to a Calixarene Platform: Experimental and Theoretical Aspects,

Catal. Commun. 2014, DOI: 10.1016/j.catcom.2014.04.004
B. Chatelet, E. Jeanneau, J.-P. Dutasta, V. Robert, A. Martinez and V. Dufaud. Role of preorganization around the azaphosphatrane catalyst's active site in the conversion of CO2 to cyclic carbonates.

Catal. Commun. 2014, DOI: 10.1016/j.catcom.2014.04.004.
B. Chatelet, E. Jeanneau, J.-P. Dutasta, V. Robert, A. Martinez and V. Dufaud. Role of preorganization around the azaphosphatrane catalyst's active site in the conversion of CO2 to cyclic carbonates.

Catalysis Today, vol. 220, p. 208‑220, 2014.
L. P. de Oliveira, J. J. Verstraete, et M. Kolb, « Simulating vacuum residue hydroconversion by means of Monte-Carlo techniques »,

Chem. Asian J. 2014 Accepted.
Unprecedented Sensitization of Visible and Near-Infrared Lanthanide Luminescence Using a Tetrathiafulvalene-based Chromophore M. Feng, F. Pointillart, B. Le Guennic, B. Lefeuvre, S. Golhen, O. Cador, O. Maury, L. Ouahab

Chem. Eur. J. 2014, 20, 1569 – 1576.
Unraveling the crystal structure of Lanthanide-Murexide complexes: use of an ancient complexometry indicator for molecular NIR emission and Single Ion Magnet design X.Yi, V. Le Corre, G. Calvez, F. Pointillart, O. Cador, B. Le Guennic, O. Maury, V. Placide, Y. Guyot, T. Roisnel, C. Daiguebonne, O. Guillou, A. Caneschi K. Bernot En direct des laboratoires de l'institut de Chimie du CNRS.http://www.cnrs.fr/inc/communication/direct_labos/bernot.htm « Du pigment antique à la molécule-aimant ».

Chem. Eur. J. 2014, sous presse
R. Ramozzi, N. Chéron, L. El Kaim, L. Grimaud and P. Fleurat-Lessard. Predicting new Ugi-Smiles couplings: a combined experimental and theoretical study..

Chem. Eur. J. 2014, sous presse.
B. Chatelet, L. Joucla, J.-P. Dutasta, A. Martinez and V. Dufaud. Azaphosphatrane organocatalysts in confined space: cage effect in CO2 conversion.

Chem. Sci., 2014, DOI: 10.1039/C4SC00473F
Millisecond lifetime imaging with europium complex using a commercial confocal microscope under one or two-photon excitations O. Maury, A. Haefele, S. Pascal, C. Andraud, A. Grichine, A. Duperray, R. Michel

Chem. Science 2014, 5, 1538-1544.
NIR electrochemical fluorescence switching from polymethine dyes S. Seo, S. Pascal, C. Park, K. Shin, X. Yang, O. Maury, B. D. Sarwade, C. Andraud, E. Kim

Chemical Communication 2014, 50, 7466-7468.
Expeditious selective access to functionalized platforms of A7B-type heteroleptic lanthanide double-decker complexes of phthalocyanine. S. Alpugan, Ü. İşci, F. Albrieux, C. Hirel, A.-G. Gürek, Y. Bretonnière, V. Ahsen, F. Dumoulin.

Chemistry - A European Journal 2014,  20 (29), 8909 – 8913.
W. Bentoumi, J.-C. Mulatier, P.-A. Bouit, O. Maury, A. Barsella, J.-P. Vola, E. Chastaing, L. Divay, F. Soyer, P. Le Barny, Y. Bretonnière, C. Multi-gram scale concise synthesis of a new push-pull tricyanofuran-based hemicyanine with giant second-order nonlinearity: an alternative for electro-optic materials Andraud

ChemPhysChem, available online, DOI: 10.1002/cphc.201402374
A. Nenov, S. Beccara, I. Rivalta, G. Cerullo, S. Mukamel, M. Garavelli. "Tracking conformational dynamics of polypeptides by non-linear electronic spectroscopy of aromatic residues: a first principles simulation study".

Comput. Theor. Chem. 2014, DOI : 10.1016/j.comptc.2014.03.028
E. Brémond, T. Le Bahers, G. Ricci, I. Ciofini and C. Adamo. In silico assessment of the HPLC-UV Response Coefficients.

Computational and Theoretical Chemistry, 2014, in press.
A. Nenov, I. Rivalta, S. Mukamel and M. Garavelli. Bidimensional Electronic Spectroscopy on Indole in Gas Phase and in Water From First Principles.

Dalton Trans., 2014, 43, 9704-9713.
Bio-inspired manganese (II) complexes with clickable ligand for immobilization on a solid support J. Chaignon, S.-E. Stiriba, F. Lloret, C. Yuste, G. Pillet, L. Bonneviot, B. Albela, I. Castro

Display and Imaging 2014, 1, 47-72 (review on invitation).
Recent Developments in Nonlinear Biophotonics: Chemist Perspective C. Monnereau, C. Andraud

Electrochimica Acta 2014, 122, 108- 117.
Z. Huo, J.-P. Gisselbrecht, R. Farha, M. Goldmann, E. Saint-Aman, C. Bucher, L. Ruhlmann. Alternating Electro-Copolymerization of Zinc-β-octaethylporphyrin With a Flexible Bipyridinium.

Eur. J. Inorg. Chem. 2014, 69-82.
Alkylation Effects in Lanthanide Complexes Involving Tetrathiafulvalene Chromophores: Experimental and Theoretical Correlation between Magnetism and Near Infrared Emission G. Cosquer, F. Pointillart, J. Jung, B. Le Guennic, S. Golhen, O. Cador, Y. Guyot, A. Brenier, O. Maury, L. Ouahab

Eur. J. Inorg. Chem. 2014, DOI: 10.1002/ejic.201400121
Magnetic Studies of Redox Active Tetrathiafulvalene-Based Complexes: Dysprosium versus Ytterbium Analogues J. Jung, T. T. da Cunha, B. Le Guennic,* F. Pointillart,* C. L. M. Pereira, J. Luzon, S. Golhen, O. Cador, O. Maury, L. Ouahab*

Inorg. Chem. 2014, 53, 4359-4370 (cover paper).
ABAB Homoleptic Bis(phthalocyaninato)lanthanide(III) Complexes: Original Octupolar Design Leading to Giant Quadratic Hyperpolarizability M. M. Ayhan, A. Singh, E. Jeanneau, V. Ahsen, J. Zys. Ledoux-Rak, A. G. Gürek, C.Hirel, Y. Bretonnière, C. Andraud

Int. J. Quant. Chem., 2014, 114, 85-93.
I. Rivalta, A. Nenov, G. Cerullo, S. Mukamel and M. Garavelli. Ab Initio Simulations of Two-Dimensional Electronic Spectra: The SOS//QM/MM Approach.

J. Am. Chem. Soc., 2014, 136, 13, 4869-72.
Tunable Catalysts for Solvent-Free Biphasic Systems: Pickering Interfacial Catalysts over Amphiphilic Silica Nanoparticles W.-J. Zhou, L. Fang, Z. Fan, B. Albela, L. Bonneviot, F. De Campo, M. Pera-Titus, J.-M. Clacens,

J. Catal. 2014, 113, 46-54.
A. Kermagoret, R. Nathaniel Kerber, M. P. Conley, E. Callens, P. Florian, D. Massiot, F. Delbecq, X., Rozanska, P. Sautet and C. Copéret. Chlorodiethylaluminum supported on silica: a dinuclear aluminum surface species with bridging 2-Cl-ligand as a highly efficient co-catalyst for the Ni-catalyzed dimerization of ethane.

J. Catal. 2014, 311, 190-198.
J. Li, P. Fleurat-Lessard, F. Zaera and F. Delbecq. Mechanistic Investigation of the cis/trans Isomerization of 2-butene on Pt(111): DFT Study of the Influence of the Hydrogen Coverage.

J. Colloid and Inter Sci., 2014, 427, 80-90.
Pickering Interfacial Catalysts for solvent free biomass transformation: physicochemical behavior of non-aqueous emulsions Z. Fan, A.Tay, M. Pera-Titus, W. Zhou, S. Benhabbari, X. Feng, G. Malcouronne, L. Bonneviot, F. De Campo, J.-M.  Clacens

J. Mater. Chem. C , 2014, 2 , 5105-5110.
Efficient hybrid materials for optical power limiting at telecommunication wavelengths D. Château, Q. Bellier, F. Chaput, P. Feneyrou, G. Berginc, O. Maury, C. Andraud, S. Parola

J. Phys. Chem. A, 2014, 118, 4038–4047.
Expanding the Polymethine Paradigm: Evidence for the Contribution of a Bis-Dipolar Electronic Structure S. Pascal, A. Haefele, C. Monnereau, A. Charaf-Eddin, D. Jacquemin, B. Le Guennic , C. Andraud , O. Maury

J. Phys. Chem. B 2014, 118, 2134-2146.
Z. takacs, E. Steiner, J. Kowalewski, T. Brotin. NMR Investigation of Chloromethanes Complexes of Cryptophane-A and its Analogue with Butoxy Groups.

J. Phys. Chem. B, 2014, 118, in press.
I. Rivalta, A. Nenov, O. Weingart, G. Cerullo, M. Garavelli and S. Mukamel. Modelling Time-Resolved Two-Dimensional Electronic Spectroscopy of the Primary Photoisomerization Event in Rhodopsin.

J. Phys. Chem. C 2014, 118, 5997-6008.
T. Le Bahers, M. Rérat and P. Sautet. Semiconductors used in Photovoltaic and Photocatalytic Devices : Assessing Fundamental Properties from DFT.

J. Phys. Chem. C. 118, 5374-5382 (2014).
F. Göltl, C. Houriez, M. Guitou, G. Chambaud and P. Sautet. The Importance of a Non-Local Description of Electron-Electron Interactions in Modeling the Dissociative Adsorption of H2 on Cu(100).

J. Phys. Chem. Lett., 2014, 5, 767-771.
A. Nenov, I. Rivalta, G. Cerullo, S. Mukamel and M. Garavelli. Disentangling Peptide Configurations via Two-Dimensional Electronic Spectroscopy: Ab Initio Simulations Beyond the Frenkel Exciton Hamiltonian.

J. Virol. 2014, 88, 820-828.
Crystal structure of pb9, the distal tail protein of bacteriophage T5: A conserved structural motif among all siphophages A. Flayhan, F. M. D. Vellieux, R. Lurz, E. Girard, O. Maury, P. Boulanger, C. Breyton

Journal of Physical Chemistry Letters, (2014), 5, p 3120-3124
F. Calle-Vallejo, P. Sautet, D. Loffreda, "Understanding Adsorption-Induced Effects on Platinum Nanoparticles: An Energy-Decomposition Analysis",  

Mol. Sim. 2014, 40, 185-195.
D. Kozlowski, J. Pilmé and P. Fleurat-Lessard. Using the unusual weak N•••CO bond as a solvation probe.

Nanoscale, 2014, 6, 2682–2692.
K. A. Atmane, C. Michel, J.-Y. Piquemal, P. Sautet, P. Beaunier, M. Giraud, M. Sicard, S. Nowak, R. Losno, and G. Viau. Control of the anisotropic shape of cobalt nanorods in the liquid phase: from experiment to theory... and back.

Nanoscale, 2014, 6, 5138. (Back cover).
Plasmonic bipyramids for fluorescence enhancement and protection against photobleaching  J. R. G. Navarro, F. Lerouge, G. Micouin, C. Cepraga, A. Favier, M. T. Charreyre, N. Blanchard, J. Lermé, F. Chaput, M. Focsan, K. Kamada, P. L. Baldeck, S. Parola,

Opt. Mater. 2014, 36, 885-891.
D. Hadiouche, C. Le Luyer, L. Guy, A. Bensalah-Ledoux, S. Saoudi, H. Khireddine, S. Guy, Optimization of optical properties of high chiral planar waveguides obtained by sol–gel method,

Organometallics 2014, sous presse. DOI:10.1021/om5001309R.
Grüber and P. Fleurat-Lessard. Density Functional Study of Indole Formation by an Intramolecular Heck Reaction

Org. Biomol. Chem. 2014, DOI: 10.1039/C4OB00156G.
A. Schmitt, O. Perraud, E. Payet, B. Chatelet, B. Bousquet, M. Valls, D. Padula, L. Di Bari, J.-P. Dutasta and A. Martinez. Improved hemicryptophane hosts for the stereoselective recognition of glucopyranosides.

Org. Biomol. Chem., 2014,12, 3641-3648 .
Fluorescent push–pull pH-responsive probes for ratiometric detection of intracellular pH M. Ipuy, C.Billon, G. Micouin, J. Samarut, C. Andraud, Y. Bretonnière

Org. Lett. 2014, DOI: 10.1021/ol500706z.
A. Schmitt, V. Robert, J.-P. Dutasta and A. Martinez. Synthesis of the first water soluble hemicryptophane host: selective recognition of choline in aqueous medium.

Org. Lett. 2014, DOI: 10.1021/ol500706z.
A. Schmitt, V. Robert, J.-P. Dutasta and A. Martinez. Synthesis of the first water soluble hemicryptophane host: selective recognition of choline in aqueous medium.

Organometallics 2014 DOI: 10.1021/om500059d.
Lanthanide sensitization with Ruthenium Carbon-Rich Complexes and Redox Commutation of NIR Luminescence L. Norel, E. Di Piazza, M. Feng, A. Vacher, X. He, T. Roisnel, O. Maury, S. Rigaut

Phys. Chem. Chem. Phys accepted.
Photophysical, amplified spontaneous emission and charge transport properties of oligofluorene derivatives in thin films E.Y. Choi, L. Mazur, L. Mager, M. Gwon, D. Pitrat, J.C. Mulatier, C. Monnereau, A. Fort, A.J. Attias, K. Dorkenoo, J. E. Kwon, Y. Xiao, K. Matczyszyn, M. Samoc, D.-W. Kim, A. Nakao, B. Heinrich, D. Hashizume, M. Uchiyama, S. Y. Park, F. Mathevet, T. Aoyama, C. Andraud, J.W. Wu, A. Barsella, J. C. Ribierre

Phys. Chem. Chem. Phys. 2014, DOI: 10.1039/C3CP55032JT.
Le Bahers, E. Brémond, I. Ciofini and C. Adamo. Nature of vertical excited states of dyes containing metals for DSSCs applications: insights from TD-DFT and density based indexes.

Phys. Chem. Chem. Phys., 2014, 16, 3, 963-973.
gamma-Al2O3 nanoparticles synthesised by pulsed laser ablation in liquids: a plasma analysis J. Lam, D. Amans, F. Chaput, M. Diouf, G. Ledoux, N. Mary, K. Masenelli-Varlot, V. Motto-Ros, C. Dujardin,

Phys. Chem. Chem. Phys., 2014, in press.
Published Online: DOI:10.1039/C3CP55211J http://pubs.rsc.org/en/content/articlelanding/2014/cp/c3cp55211j#!divAbstractI. Rivalta, A. Nenov and M. Garavelli. Modelling retinal chromophores photoisomerization: from minimal models in vacuo to ultimate bidimensional spectroscopy in Rhodopsins.

Phys. Rev. Lett. 112, 046101, (2014).
X. J. Shen, A. Lozano, W. Dong, H. B. Busnengo and X. H. Yan. Towards bond-selective chemistry from first principles: Methane on metal surfaces.

RSC Adv., 2014, 4 (30), 15569-15578.
Synthesis of Multifunctional Lipid-Polymer Conjugates: Application to the Elaboration of Bright Far-Red Fluorescent Lipid Probes S. Adjili,   A. Favier,   J. Massin,   Y. Bretonnière,   W. Lacour,   Y.-C. Lin,   E. Chatre,   C. Place,   C. Favard,   D. Muriaux,   C. Andraud, M.-T. Charreyre,

Tetrahedron Letters, 2014,  55, pp. 1357 – 1361.
V. Placide, D. Pitrat, A. Grichine, A. Duperray, C. Andraud and O. Maury, Versatile synthesis of chromophore-functionalized triazacylonane ligand featuring sulfobetaine moieties for the design of optimized Europium bio-probe,