Département de chimie moléculaire

Systematic Theoretical Study of the Zero-Field Splitting in Coordination Complexes of Mn(III). Density Functional Theory versus Multireference Wave Function Approaches., Duboc, Carole, Ganyushin Dmitry, Sivalingam Kantharuban, Collomb Marie-Noelle, and Neese Frank , J. Phys. Chem. A, Volume 114, Number 39, p.10750–10758, (2010)

A Systematic Density Functional Study of the Zero-Field Splitting in Mn(II) Coordination Compounds., Zein, Samir, Duboc Carole, Lubitz Wolfgang, and Neese Frank , Inorg. Chem., Volume 47, Number 1, p.134–142, (2008)

Synthesis and characterizations of cyclic octanuclear mixed-valence vanadium(IV,V) clusters with polyoxometalate counterions., Lisnard, Laurent, Dolbecq Anne, Mialane Pierre, Marrot Jérôme, Rivière Eric, Borshch Serguei A., Petit Sébastien, Robert Vincent, Duboc Carole, McCormac Timothy, et al. , Dalt. Trans., Number 43, p.5141–5148, (2006)

Syntheses, X-ray Structures, Solid State High-Field Electron Paramagnetic Resonance, and Density-Functional Theory Investigations on Chloro and Aqua MnII Mononuclear Complexes with Amino-Pyridine Pentadentate Ligands., Hureau, Christelle, Groni Sihem, Guillot Régis, Blondin Geneviève, Duboc Carole, and Anxolabehere-Mallart Elodie. , Inorg. Chem., Volume 47, Number 20, p.9238–9247, (2008)

Synergy between metals for small molecule activation: Enzymes and bio-inspired complexes, Ghosh, Ashta C., Duboc Carole, and Gennari Marcello , Coordination Chemistry Reviews, Volume 428, p.213606, (2021)

Sunlight-Driven Copper-Catalyst Activation Applied to Photolatent Click Chemistry., Beniazza, Redouane, Lambert Romain, Harmand Lydie, Molton Florian, Duboc Carole, Denisov Sergey, Jonusauskas Gedeminas, McClenaghan Nathan D., Lastécouères Dominique, and Vincent Jean-Marc. , Chem. - A Eur. J., Volume 20, Number 41, p.13181–13187, (2014)

Sulfonium Polyoxometalates: A New Class of Solid-State Photochromic Hybrid Organic-Inorganic Materials., Hakouk, Khadija, Oms Olivier, Dolbecq Anne, Moll Hani El, Marrot Jérôme, Evain Michel, Molton Florian, Duboc Carole, Deniard Philippe, Jobic Stéphane, et al. , Inorg. Chem., Volume 52, Number 2, p.555–557, (2013)

Structure, electrochemistry, spectroscopy, and magnetic resonance, including high-field EPR, of \($μ$-abpy)[Re(CO)3X]2\}o/·-, where abpy = 2,2'-azobispyridine and X = F, Cl, Br, I.}, Frantz, Stéphanie, Sieger Monika, Hartenbach Ingo, Lissner Falk, Schleid Thomas, Fiedler Jan, Duboc Carole, and Kaim Wolfgang. , J. Organomet. Chem., Volume 694, Number 7-8, p.1122–1133, (2009)

Structural, spectroscopic and redox properties of a mononuclear CoII thiolate complex - the reactivity toward S-alkylation: an experimental and theoretical study., Gennari, Marcello, Gerey Bertrand, Hall Nikita, Pécaut Jacques, Vezin Hervé, Collomb Marie-Noelle, Orio Maylis, and Duboc Carole , Dalt. Trans., Volume 41, Number 40, p.12586–12594, (2012)

Structural, Magnetic, EPR, and Electrochemical Characterizations of a Spin-Frustrated Trinuclear CrIII Polyoxometalate and Study of Its Reactivity with Lanthanum Cations., Compain, Jean-Daniel, Mialane Pierre, Dolbecq Anne, Mbomekallé Israel Martyr, Marrot Jérôme, Sécheresse Francis, Duboc Carole, and Riviere Eric. , Inorg. Chem., Volume 49, Number 6, p.2851–2858, (2010)

Structural Characterization and Electronic Properties Determination by High-Field and High-Frequency EPR of a Series of Five-Coordinated Mn(II) Complexes., Mantel, Claire, Baffert Carole, Romero Isabel, Deronzier Alain, Pécaut Jacques, Collomb Marie-Noelle, and Duboc Carole , Inorg. Chem., Volume 43, Number 20, p.6455–6463, (2004)

Structural and magnetic properties of MnIII and CuII tetranuclear azido polyoxometalate complexes: multifrequency high-field EPR spectroscopy of Cu4 clusters with S = 1 and S = 2 ground states., Mialane, Pierre, Duboc Carole, Marrot Jérôme, Rivière Eric, Dolbecq Anne, and Secheresse Francis. , Chem. - A Eur. J., Volume 12, Number 7, p.1950–1959, (2006)

Spectroscopic Characterization of the Metal-Binding Sites in the Periplasmic Metal-Sensor Domain of CnrX from Cupriavidus metallidurans CH34., Trepreau, Juliette, de Rosny Eve, Duboc Carole, Sarret Géraldine, Petit-Härtlein Isabelle, Maillard Antoine P., Imberty Anne, Proux Olivier, and Coves Jacques. , Biochemistry, Volume 50, Number 42, p.9036–9045, (2011)

Spectroelectrochemistry and DFT Analysis of a New \RuNO\}n Redox System with Multifrequency EPR Suggesting Conformational Isomerism in the \RuNO\}7 State.}, Singh, Priti, Fiedler Jan, Zális Stanislav, Duboc Carole, Niemeyer Mark, Lissner Falk, Schleid Thomas, and Kaim Wolfgang. , Inorg. Chem., Volume 46, Number 22, p.9254–9261, (2007)

Solvent- and Halide-Induced (Inter)conversion between Iron(II)-Disulfide and Iron(III)-Thiolate Complexes., Wang, Lianke, Reinhard Fabián G. Cantú, Philouze Christian, Demeshko Serhiy, de Visser Sam P., Meyer Franc, Gennari Marcello, and Duboc Carole , Chem. - A Eur. J., Volume 24, Number 46, p.11973–11982, (2018)

Solvent- and Halide-Induced (Inter)conversion between Iron(II)-Disulfide and Iron(III)-Thiolate Complexes, Wang, Lianke, Reinhard Fabián G. Cantú, Philouze Christian, Demeshko Serhiy, de Visser Sam P., Meyer Franc, Gennari Marcello, and Duboc Carole , Chemistry – A European Journal, Volume 24, p.11973-11982, (2018)

The Solution Chemistry of Cu2+-tren Complexes Revisited: Exploring the Role of Species That Are Not Trigonal Bipyramidal., Castillo, Carmen E., Algarra Andres G., M Manez Angeles, Duboc Carole, and Basallote Manuel G. , Eur. J. Inorg. Chem., Volume 2012, Number 15, p.2514–2526, (2012)

Soluble Heterometallic Coordination Polymers Based on a Bis-terpyridine-Functionalized Dioxocyclam Ligand., Gasnier, Aurélien, Barbe Jean-Michel, Bucher Christophe, Duboc Carole, Moutet Jean-Claude, Saint-Aman Eric, Terech Pierre, and Royal Guy , Inorg. Chem., Volume 49, Number 6, p.2592–2599, (2010)

A series of metal complexes with the non-innocent N,N'-bis(pentafluorophenyl)-o-phenylenediamido ligand: twisted geometry for tuning the electronic structure., Khusniyarov, Marat M., Harms Klaus, Burghaus Olaf, Sundermeyer Joerg, Sarkar Biprajit, Kaim Wolfgang, van Slageren Joris, Duboc Carole, and Fiedler Jan. , Dalt. Trans., Number 10, p.1355–1365, (2008)