Publications 2014

38. Phosphorus-stabilized titanium carbene complexes: synthesis, reactivity and DFT studies.
Lafage, M.; Heuclin, H.; Le Goff, X.-F.; Saffon-Merceron, N.; Mézailles, N.
Chem. Eur. J. 2014, 20 (51), 16995-17003.
37. Carbon–hydrogen bond breaking and making in the open-shell singlet molecule Cp*2Yb(4,7-Me2phen).
Nocton, G.; Booth, C. H.; Maron, L.; Ricard, L.; Andersen, R. A.
Organometallics 2014, 33 (23), 6819-6829.
36. Ultraviolet-vis degradation of iprodione and estimation of the acute toxicity of its photodegradation products.
Lassalle, Y.; Jellouli, H.; Ballerini, L.; Souissi, Y.; Nicol, E.; Bourcier, S.; Bouchonnet, S.
J. Chromatogr. A 2014, 1371, 146-153.
35. Copper-catalyzed coupling of N-tosylhydrazones with amines: synthesis of fluorene derivatives.
Aziz, J.; Frison, G.; Gómez, M.; Brion, J.-D.; Hamze, A.; Alami, M.
ACS Catal. 2014, 4 (12), 4498-4503.
34. Protonation thermochemistry of gaseous 2,2'-, 4,4'-and 2,4'-bipyridines and 1,10-phenanthroline.
Riou, D.; Bouchoux, G.
Croat. Chim. Acta 2014, 87 (4), 447-457.
33. Visible-emitting hybrid sol-gel materials comprising lanthanide ions: thin film behaviour and potential use as phosphors for solid-state lighting.
Huang, X.; Zucchi, G.; Jacqueline, T.; Pansu, R. B.; Brosseau, A.; Geffroy, B.; Nief, F.
New J. Chem. 2014, 38 (12), 5793-5800.
32. To bend or not to bend: experimental and computational studies of structural preference in Ln(TpiPr2)2 (Ln = Sm, Tm).
Momin, A.; Carter, L.; Yang, Y.; McDonald, R.; Essafi, S.; Nief, F.; Del Rosal, I.; Sella, A.; Maron, L.; Takats, J.
Inorg. Chem. 2014, 53 (22), 12066-12075.
31. Nickel complexes featuring iminophosphorane-phenoxide ligands for catalytic ethylene dimerization.
Cheisson, T.; Thi-Phuong-Anh, C.; Le Goff, X.-F.; Auffrant, A.
Organometallics 2014, 33 (21), 6193-6199.
30. Vibrational signatures of S-nitrosoglutathione as gaseous, protonated species.
Gregori, B.; Guidoni, L.; Chiavarino, B.; Scuderi, D.; Nicol, E.; Frison, G.; Fornarini, S.; Crestoni, M. E.
J. Phys. Chem. B 2014, 118 (43), 12371-12382.
29. Titanium imido complexes stabilised by bis(iminophosphoranyl)methanide ligands: the influence of N-substituents on solution dynamics and reactivity.
Normand, A. T.; Massard, A.; Richard, P.; Canovas, C.; Balan, C.; Picquet, M.; Auffrant, A.; Le Gendre, P.
Dalton Trans. 2014, 43 (40), 15098-15110.
28. Reductive alkylation of thioannides with Grignard reagents in the presence of Ti(OiPr)4: insight and extension.
Hermant, F.; Urbanska, E.; de Mazancourt, S. S.; Maubert, T.; Nicolas, E.; Six, Y.
Organometallics 2014, 33 (20), 5643-5653.
27. Planar chiral phosphoric acids with biphenylene-tethered paracyclophane scaffolds: synthesis, characterization, and catalytic screening.
Isaac, K.; Stemper, J.; Servajean, V.; Retailleau, P.; Pastor, J.; Frison, G.; Kaupmees, K.; Leito, I.; Betzer, J.-F.; Marinetti, A.
J. Org. Chem. 2014, 79 (20), 9639-9646.
26. Cobalt-catalyzed cross-coupling of organozinc halides with bromoalkynes.
Corpet, M.; Bai, X.-Z.; Gosmini, C.
Adv. Synth. Catal. 2014, 356 (14-15), 2937-2942.
25. Hydration gibbs free energies of open and closed shell trivalent lanthanide and actinide cations from polarizable molecular dynamics.
Marjolin, A.; Gourlaouen, C.; Clavaguéra, C.; Ren, P. Y.; Piquemal, J.-P.; Dognon, J.-P.
J. Mol. Model. 2014, 20 (10), 1-7.
24. Anticipating the fate and impact of organic environmental contaminants: A new approach applied to the pharmaceutical furosemide.
Laurencé, C.; Rivard, M.; Martens, T.; Morin, C.; Buisson, D.; Bourcier, S.; Sablier, M.; Oturan, M. A.
Chemosphere 2014, 113, 193-199.
23. Versatile coordination chemistry of a bis(methyliminophosphoranyl)pyridine ligand on copper centres.
Cheisson, T.; Auffrant, A.
Dalton Trans. 2014, 43 (35), 13399-13409.
22. Accuracy of density functionals in the description of dispersion interactions and IR spectra of phosphates and phosphorylated compounds.
Sharma, A.; Ohanessian, G.; Clavaguéra, C.
J. Mol. Model. 2014, 20 (9), 2426.
21. Recent Advances in Electrophilic Amination Reactions.
Corpet, M.; Gosmini, C.
Synthesis 2014, 46 (17), 2258-2271.
20. Polymorphic copper iodide clusters: insights into the mechanochromic luminescence properties.
Benito, Q.; Le Goff, X.-F.; Maron, S.; Fargues, A.; Garcia, A.; Martineau, C.; Taulelle, F.; Kahlal, S.; Gacoin, T.; Boilot, J.-P.; Perruchas, S.
J. Am. Chem. Soc. 2014, 136 (32), 11311-11320.
19. Finite temperature infrared spectra from polarizable molecular dynamics simulations.
Semrouni, D.; Sharma, A.; Dognon, J.-P.; Ohanessian, G.; Clavaguéra, C.
J. Chem. Theory Comput. 2014, 10 (8), 3190-3199.
18. Benchmarking DFT and TD-DFT functionals for the ground and excited states of hydrogen-rich peptide radicals.
Riffet, V.; Jacquemin, D.; Cauët, E.; Frison, G.
J. Chem. Theory Comput. 2014, 10 (8), 3308-3318.
17. Multiple one-electron transfers in bipyridine complexes of bis(phospholyl) thulium.
Jacquot, L.; Xémard, M.; Clavaguéra, C.; Nocton, G.
Organometallics 2014, 33 (15), 4100-4106.
16. Ti(OiPr)4/nBuLi: an attractive reagent system for [2+2+2] cyclotrimerisation reactions.
Rassadin, V. A.; Nicolas, E.; Six, Y.
Chem. Commun. 2014, 50 (57), 7666-7669.
15. Photolysis of estrone generates estrogenic photoproducts with higher activity than the parent compound.
Souissi, Y.; Kinani, S.; Bouchonnet, S.; Bourcier, S.; Malosse, C.; Sablier, M.; Creusot, N.; Mombelli, E.; Aït-Aïssa, S.
Environ. Sci. Pollut. Res. 2014, 21 (13), 7818-7827.
14. Ti-mediated intramolecular cyclopropanation of N-alkenyl thioamides: scope and mechanistic study.
Hermant, F.; Nicolas, E.; Six, Y.
Tetrahedron 2014, 70 (25), 3924-3930.
13. Pincer versus pseudopincer: isomerism in palladium(II) complexes bearing k3C,S,C ligands.
Bernhammer, J. C.; Frison, G.; Huynh, H. V.
Dalton Trans. 2014, 43 (23), 8591-8594.
12. Reversible sigma C–C bond formation between phenanthroline ligands activated by (C5Me5)2Yb.
Nocton, G.; Lukens, W. W.; Booth, C. H.; Rozenel, S. S.; Medling, S. A.; Maron, L.; Andersen, R. A.
J. Am. Chem. Soc. 2014, 136 (24), 8626-8641.
11. Ion source parameters and hydrogen scrambling in the ECD of selectively deuterated peptides.
Duchateau, M.; Jørgensen, T. J. D.; Robine, O.; Nicol, E.; Malosse, C.; Chamot-Rooke, J.; van der Rest, G.
Int. J. Mass Spectrom. 2014, 367, 21-27.
10. Reductive cross-coupling reactions between two electrophiles.
Knappke, C. E. I.; Grupe, S.; Gärtner, D.; Corpet, M.; Gosmini, C.; Jacobi von Wangelin, A.
Chem. Eur. J. 2014, 20 (23), 6828-6842.
9. UV-visible degradation of boscalid – structural characterization of photoproducts and potential toxicity using in silico tests.
Lassalle, Y.; Kinani, A.; Rifai, A.; Souissi, Y.; Clavaguéra, C.; Bourcier, S.; Jaber, F.; Bouchonnet, S.
Rapid Commun. Mass Spectrom. 2014, 28 (10), 1153-1163.
8. Redox-active phosphines: synthesis and crystal structures of palladium(ii) complexes of a metallaphosphine in two different oxidation states.
Tohmé, A.; Labouille, S.; Roisnel, T.; Dorcet, V.; Carmichael, D.; Paul, F.
Dalton Trans. 2014, 43 (19), 7002-7005.
7. Complete posttranslational modification mapping of pathogenic Neisseria meningitidis pilins requires top-down mass spectrometry.
Gault, J.; Malosse, C.; Machata, S.; Millien, C.; Podglajen, I.; Ploy, M.-C.; Costello, C. E.; Duménil, G.; Chamot-Rooke, J.
Proteomics 2014, 14 (10), 1141-1151.
6. Oligo(metallocene)s containing keto-bridged phospholyl rings.
Carmichael, D.; Le Goff, X.-F.; Müller, E.
Eur. J. Inorg. Chem. 2014, 2014 (10), 1610-1614.
5. N-aromatic heterocycle adducts of bulky [1,2,4-(Me3C)3C5H2]2Sm: synthesis, structure and solution analysis.
Nocton, G.; Ricard, L.
Dalton Trans. 2014, 43 (11), 4380-4387.
4. A tetracoordinated phosphasalen nickel(III) complex.
Cao, T.-P.-A.; Nocton, G.; Ricard, L.; Le Goff, X.-F.; Auffrant, A.
Angew. Chem. Int. Ed. 2014, 53 (5), 1368-1372.
3. Exploring nanoscaled matter from speciation to phase diagrams: metal phosphide nanoparticles as a case of study.
Carenco, S.; Portehault, D.; Boissière, C.; Mézailles, N.; Sanchez, C.
Adv. Mater. 2014, 26 (3), 371-390.
2. Oxidative addition to palladium(0) diphosphine complexes: observations of mechanistic complexity with iodobenzene as reactant.
Kurbangalieva , A.; Carmichael, D.; Hii, K. K.; Jutand, A.; Brown, J. M.
Chem. Eur. J. 2014, 20 (4), 1116-1125.

1. Noncovalent chalcogen bonds and disulfide conformational change in the cystamine-based hybrid perovskite [H3N(CH2)2SS(CH2)2NH3]PbIII4.
Louvain, N.; Frison, G.; Dittmer, J.; Legein, C.; Mercier, N.
Eur. J. Inorg. Chem. 2014, 2014 (2), 364-376.