Département de chimie moléculaire

An easy electrochemical procedure for tailoring thin films containing the [Fe(bpy)2(CH3CN)2]2+ and/or [Fe(bpy)3]2+-like cores (bpy=2,2'-bipyridine). Application to the design of a modified electrode with a supramolecular structure., Gorgy, Karine, Collomb Marie-Noelle, Leprêtre Jean-Claude, Deronzier Alain, Duboc Carole, Ménage Stéphane, and Fontecave Marc. , Electrochem. commun., Volume 3, Number 12, p.686–691, (2001)

High-Frequency EPR Study of a New Mononuclear Manganese(III) Complex: [(terpy)Mn(N3)3] (terpy = 2,2':6',2''-Terpyridine)., Limburg, Julian, Vrettos John S., Crabtree Robert H., Brudvig Gary W., de Paula Julio C., Hassan Alia, Barra Anne-Laure, Duboc Carole, and Collomb Marie-Noelle , Inorg. Chem., Volume 40, Number 7, p.1698–1703, (2001)

A High-Frequency and High-Field EPR Study of New Azide and Fluoride Mononuclear Mn(III) Complexes., Mantel, Claire, Hassan Alia K., Pécaut Jacques, Deronzier Alain, Collomb Marie-Noelle, and Duboc Carole , J. Am. Chem. Soc., Volume 125, Number 40, p.12337–12344, (2003)

How single and bifurcated hydrogen bonds influence proton-migration rate constants, redox, and electronic properties of phenoxyl radicals., Thomas, Fabrice, Jarjayes Olivier, Jamet Hélène, Hamman Sylvain, Saint-Aman Eric, Duboc Carole, and Pierre Jean-Louis. , Angew. Chemie, Int. Ed., Volume 43, Number 5, p.594–597, (2004)

Investigation of a neat versus magnetically diluted powdered mononuclear MnII complex by high-field and high-frequency EPR spectroscopy., Mantel, Claire, Philouze Christian, Collomb Marie-Noelle, and Duboc Carole , Eur. J. Inorg. Chem., Number 19, p.3880–3886, (2004)

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)

High-spin chloro mononuclear MnIII complexes: a multifrequency high-field EPR study., Mantel, Claire, Chen Hongyu, Crabtree Robert H., Brudvig Gary W., Pécaut Jacques, Collomb Marie-Noelle, and Duboc Carole , ChemPhysChem, Volume 6, Number 3, p.541–546, (2005)

New Linear High-Valent Tetranuclear Manganese-Oxo Cluster Relevant to the Oxygen-Evolving Complex of Photosystem II with Oxo, Hydroxo, and Aqua Coordinated to a Single Mn(IV)., Chen, Hongyu, Collomb Marie-Noelle, Duboc Carole, Blondin Geneviève, Rivière Eric, Faller J W., Crabtree Robert H., and Brudvig Gary W. , Inorg. Chem., Volume 44, Number 25, p.9567–9573, (2005)

{{Mixed-valent and radical states of complexes [(bpy)2M($μ$-abpy)M'(bpy)2]n+, M,M' = Ru or Os, Heilmann, Martina, Frantz Stéphanie, Kaim Wolfgang, Fiedler Jan, and Duboc Carole , Inorganica Chim. Acta, Volume 359, Number 3, p.821–829, (2006)

Multifrequency EPR and Redox Reactivity Investigations of a Bis(μ-thiolato)-dicopper(II,II) Complex., Rammal, Wassim, Belle Catherine, Béguin Claude, Duboc Carole, Philouze Christian, Pierre Jean-Louis, Le Pape Laurent, Bertaina Sylvain, Saint-Aman Eric, and Torelli Stéphane , Inorg. Chem., Volume 45, Number 25, p.10355–10362, (2006)

A multifrequency high-field EPR (9-285GHz) investigation of a series of dichloride mononuclear penta-coordinated Mn(II) complexes., Duboc, Carole, Astier-Perret Vincent, Chen Hongyu, Pécaut Jacques, Crabtree Robert H., Brudvig Gary W., and Collomb Marie-Noelle , Inorganica Chim. Acta, Volume 359, Number 5, p.1541–1548, (2006)

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)

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)

Changes in magnetic properties from solid state to solution in a trinuclear linear copper(II) complex., Koval, Iryna A., Akhideno Hilda, Tanase Stefania, Belle Catherine, Duboc Carole, Saint-Aman Eric, Gamez Patrick, Tooke Duncan M., Spek Anthony L., Pierre Jean-Louis, et al. , New J. Chem., Volume 31, Number 4, p.512–518, (2007)

The Highest D Value for a MnII Ion: Investigation of a Manganese(II) Polyoxometalate Complex by High-Field Electron Paramagnetic Resonance., Pichon, Céline, Mialane Pierre, Rivière Eric, Blain Guillaume, Dolbecq Anne, Marrot Jérôme, Sécheresse Francis, and Duboc Carole , Inorg. Chem., Volume 46, Number 19, p.7710–7712, (2007)

High-field EPR investigation of a series of mononuclear Mn(II) complexes doped into Zn(II) hosts., Duboc, Carole, Phoeung Thida, Damien Jouvenot, Blackman Allan, McClintock Lisa F., Pécaut Jacques, Collomb Marie-Noelle, and Deronizer Alain , Polyhedron, Volume 26, Number 18, p.5243–5249, (2007)

Origin of the Zero-Field Splitting in Mononuclear Octahedral Dihalide MnII Complexes: An Investigation by Multifrequency High-Field Electron Paramagnetic Resonance and Density Functional Theory., Duboc, Carole, Phoeung Thida, Zein Samir, Pécaut Jacques, Collomb Marie-Noelle, and Neese Frank , Inorg. Chem., Volume 46, Number 12, p.4905–4916, (2007)

Redox-induced $μ$-acetato and $μ$-oxo core interconversions in dinuclear manganese tris(2-pyridylmethyl)amine (tpa) complexes: isolation and characterization of [Mn2III($μ$-O)($μ$-O2CCH3)(tpa)2]3+., Collomb, Marie-Noelle, Mantel Claire, Romain Sophie, Duboc Carole, Leprêtre Jean-Claude, Pécaut Jacques, and Deronizer Alain , Eur. J. Inorg. Chem., Number 20, p.3179–3187, (2007)

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)

Tetranuclear Complexes of [Fe(CO)2(C5H5)]+ with TCNX Ligands (TCNX = TCNE, TCNQ, TCNB): Intramolecular Electron Transfer Alternatives in Compounds ($μ$4-TCNX)[MLn]4., Maity, Amarendra N., Schwederski Brigitte, Sarkar Biprajit, Zális Stanislav, Fiedler Jan, Kar Sanjib, Lahiri Goutam K., Duboc Carole, Grunert Matthias, Guetlich Philipp, et al. , Inorg. Chem., Volume 46, Number 18, p.7312–7320, (2007)

Artificial Metalloenzyme for Enantioselective Sulfoxidation Based on Vanadyl-Loaded Streptavidin., Pordea, Anca, Creus Marc, Panek Jaroslaw, Duboc Carole, Mathis Déborah, Novic Marjana, and Ward Thomas R. , J. Am. Chem. Soc., Volume 130, Number 25, p.8085–8088, (2008)

Definition of magneto-structural correlations for the MnII ion., Duboc, Carole, Collomb Marie-Noelle, Pécaut Jacques, Deronizer Alain, and Neese Frank , Chem. - A Eur. J., Volume 14, Number 21, p.6498–6509, (2008)

Electrochemical fabrication and characterization of thin films of redox-active molecular wires based on extended Rh-Rh bonded chains., Lafolet, Frédéric, Chardon Sylvie, Duboc Carole, Deronizer Alain, Pruchnik Florian P., and Rak Magdalena. , Dalt. Trans., Number 16, p.2149–2156, (2008)

High-frequency EPR and structural data as complementary information on stable radical complexes containing the semi-reduced azo function., Sarkar, Biprajit, Frantz Stéphanie, Roy Sayak, Sieger Monika, Duboc Carole, Denninger Gert, Kuemmerer Hans-Juergen, and Kaim Wolfgang. , J. Mol. Struct., Volume 890, Number 1-3, p.133–138, (2008)

A radical-bridged bis(ferrocenylcopper(I)) complex: Structural identity, multifrequency EPR, and spectroelectrochemistry., Roy, Sayak, Sieger Monika, Singh Priti, Niemeyer Mark, Fiedler Jan, Duboc Carole, and Kaim Wolfgang. , Inorganica Chim. Acta, Volume 361, Number 6, p.1699–1704, (2008)

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)

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)

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)

A tetranuclear organorhenium(I) complex of the 2,3,5,6-tetrafluoro-7,7,8,8-tetracyano-p-quinodimethane radical anion, TCNQF4-., Maity, Amarendra N., Sarkar Biprajit, Niemeyer Mark, Sieger Monika, Duboc Carole, Zális Stanislav, and Kaim Wolfgang. , Dalt. Trans., Number 42, p.5749–5753, (2008)

Dramatic Solid-State Humidity-Induced Modification of the Magnetic Coupling in a Dimeric Fluorous Copper(II)-Carboxylate Complex., Motreff, Artur, da Costa Rosenildo Correa, Allouchi Hassan, Duttine Mathieu, Mathonière Corine, Duboc Carole, and Vincent Jean-Marc. , Inorg. Chem., Volume 48, Number 13, p.5623–5625, (2009)

Evidence for the dimer-of-(mixed-valent dimers) configuration in tetranuclear \($μ$4-TCNX)[Ru(NH3)5]4\}8+, Zális, Stanislav, Sarkar Biprajit, Duboc Carole, and Kaim Wolfgang. , Monatshefte fuer Chemie, Volume 140, Number 7, p.765–773, (2009)

Heterohexanuclear (Cu3Fe3) Complexes of Substituted Hexaazatrinaphthylene (HATN) Ligands: Twofold BF4- Association in the Solid and Stepwise Oxidation (3e) or Reduction (2e) to Spectroelectrochemically Characterized Species., Roy, Sayak, Sarkar Biprajit, Duboc Carole, Fiedler Jan, Sarper Orkan, Lissner Falk, Mobin Shaikh M., Lahiri Goutam Kumar, and Kaim Wolfgang. , Chem. - A Eur. J., Volume 15, Number 28, p.6932–6939, S6932/1–S6932/7, (2009)

Mononuclear MnIII and MnIV Bis-terpyridine Complexes: Electrochemical Formation and Spectroscopic Characterizations., Romain, Sophie, Baffert Carole, Duboc Carole, Leprêtre Jean-Claude, Deronizer Alain, and Collomb Marie-Noelle , Inorg. Chem., Volume 48, Number 7, p.3125–3131, (2009)

Multifrequency electron paramagnetic resonance and theoretical studies of a Mn(II) (S =5/2) complex: The role of geometrical elements on the Zero Field Splitting parameters., Tzima, Theodora D., Sioros George, Duboc Carole, Kovala-Demertzi Demetra, Melissas Vasilios S., and Sanakis Yiannis. , Polyhedron, Volume 28, Number 15, p.3257–3264, (2009)

Multifrequency high-field EPR investigation of a mononuclear manganese(iv) complex., Duboc, Carole, and Collomb Marie-Noelle , Chem. Commun. (Cambridge, United Kingdom), Number 19, p.2715–2717, (2009)

An Odd-Electron Complex [Ruk(NOm)(Qn)(terpy)]2+ with Two Prototypical Non-Innocent Ligands., Das, Atanu Kumar, Sarkar Biprajit, Duboc Carole, Strobel Sabine, Fiedler Jan, Zális Stanislav, Lahiri Goutam Kumar, and Kaim Wolfgang. , Angew. Chemie, Int. Ed., Volume 48, Number 23, p.4242–4245, S4242/1–S4242/6, (2009)

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)

Trinuclear Terpyridine Frustrated Spin System with a MnIV3O4 Core: Synthesis, Physical Characterization, and Quantum Chemical Modeling of Its Magnetic Properties., Baffert, Carole, Orio Maylis, Pantazis Dimitrios A., Duboc Carole, Blackman Allan, Blondin Geneviève, Neese Frank, Deronizer Alain, and Collomb Marie-Noelle , Inorg. Chem., Volume 48, Number 21, p.10281–10288, (2009)

Understanding the Zero-Field Splitting of Mononuclear Manganese(II) Complexes from Combined EPR Spectroscopy and Quantum Chemistry., Duboc, Carole, Collomb Marie-Noelle, and Neese Frank , Appl. Magn. Reson., Volume 37, Number 1-4, p.229–245, (2009)

An unusual stable mononuclear MnIII bis-terpyridine complex exhibiting Jahn-Teller compression: electrochemical synthesis, physical characterisation and theoretical study., Romain, Sophie, Duboc Carole, Neese Frank, Rivière Eric, Hanton Lyall R., Blackman Allan, Philouze Christian, Leprêtre Jean-Claude, Deronizer Alain, and Collomb Marie-Noelle , Chem. - A Eur. J., Volume 15, Number 4, p.980–988, (2009)

Investigation of the Zero-Field Splitting in Six- and Seven-Coordinate Mononuclear MnII Complexes with N/O-Based Ligands by Combining EPR Spectroscopy and Quantum Chemistry., Rich, Jordi, Castillo Carmen E., Romero Isabel, Rodriguez Montserrat, Duboc Carole, and Collomb Marie-Noelle , Eur. J. Inorg. Chem., Number 23, p.3658–3665, (2010)

Oxidative perhydroxylation of [closo-B12H12]2- to the stable inorganic cluster redox system [B12(OH)12]2-/·-: experiment and theory., Nguyen, Van, Tiritiris Ioannis, Winter Rainer F., Sarkar Biprajit, Singh Priti, Duboc Carole, Muñoz-Castro Alvaro, Arratia-Pérez Ramiro, Kaim Wolfgang, and Schleid Thomas. , Chem. - A Eur. J., Volume 16, Number 37, p.11242–11245, S11242/1–S11242/8, (2010)

Reversible Apical Coordination of Imidazole between the Ni(III) and Ni(II) Oxidation States of a Dithiolate Complex: A Process Related to the Ni Superoxide Dismutase., Gennari, Marcello, Orio Maylis, Pécaut Jacques, Neese Frank, Collomb Marie-Noelle, and Duboc Carole , Inorg. Chem., Volume 49, Number 14, p.6399–6401, (2010)

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)

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)

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)

Electrochemical formation of bi- versus tetranuclear $μ$-oxo terpyridine manganese complexes in CH3CN. Influence of the terpyridine substituents., Romain, Sophie, Duboc Carole, Retegan Marius, Leprêtre Jean-Claude, Blackman Allan, Deronizer Alain, and Collomb Marie-Noelle , Inorganica Chim. Acta, Volume 374, Number 1, p.187–196, (2011)

Experimental and Computational Investigation of Thiolate Alkylation in NiII and ZnII Complexes: Role of the Metal on the Sulfur Nucleophilicity., Gennari, Marcello, Retegan Marius, DeBeer Serena, Pécaut Jacques, Neese Frank, Collomb Marie-Noelle, and Duboc Carole , Inorg. Chem., Volume 50, Number 20, p.10047–10055, (2011)

Factors influencing mononuclear versus multinuclear coordination in a series of potentially hexadentate acyclic N6 ligands: the roles of flexibility and chelate ring size., Hall, Nikita A., Duboc Carole, Collomb Marie-Noelle, Deronizer Alain, and Blackman Allan , Dalt. Trans., Volume 40, Number 45, p.12075–12082, (2011)

A Fully Delocalized Mixed-Valence Bis-$μ$(Thiolato) Dicopper Complex: A Structural and Functional Model of the Biological CuA Center., Gennari, Marcello, Pécaut Jacques, DeBeer Serena, Neese Frank, Collomb Marie-Noelle, and Duboc Carole , Angew. Chemie, Int. Ed., Volume 50, Number 25, p.5662–5666, S5662/1–S5662/16, (2011)

Influence of Mixed Thiolate/Thioether versus Dithiolate Coordination on the Accessibility of the Uncommon +I and +III Oxidation States for the Nickel Ion: An Experimental and Computational Study., Gennari, Marcello, Orio Maylis, Pécaut Jacques, Bothe Eberhard, Neese Frank, Collomb Marie-Noelle, and Duboc Carole , Inorg. Chem., Volume 50, Number 8, p.3707–3716, (2011)

Manganese K$\beta$ X-ray Emission Spectroscopy As a Probe of Metal-Ligand Interactions., Beckwith, Martha A., Roemelt Michael, Collomb Marie-Noelle, Duboc Carole, Weng Tsu-Chien, Bergmann Uwe, Glatzel Pieter, Neese Frank, and DeBeer Serena. , Inorg. Chem., Volume 50, Number 17, p.8397–8409, (2011)

Multireversible Redox Processes in Pentanuclear Bis(Triple-Helical) Manganese Complexes Featuring an Oxo-Centered triangular \MnII2MnIII($μ$3-O)\}5+ or \MnIIMnIII2($μ$3-O)\}6+ Core Wrapped by Two \MnII2(bpp)3\}-.}, Romain, Sophie, Rich Jordi, Sens Cristina, Stoll Thibaut, Benet-Buchholz Jordi, Llobet Antoni, Rodriguez Montserrat, Romero Isabel, Clérac Rodolphe, Mathonière Corine, et al. , Inorg. Chem., Volume 50, Number 17, p.8427–8436, (2011)

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)

A copper thiolate centre for electron transfer: mononuclear vs. dinuclear complexes., Gennari, Marcello, Pécaut Jacques, Collomb Marie-Noelle, and Duboc Carole , Dalt. Trans., Volume 41, Number 11, p.3130–3133, (2012)

A fluorous copper(II)-carboxylate complex which magnetically and reversibly responds to humidity in the solid state., Motreff, Artur, da Costa Rosenildo Correa, Allouchi Hassan, Duttine Mathieu, Mathonière Corine, Duboc Carole, and Vincent Jean-Marc. , J. Fluor. Chem., Volume 134, p.49–55, (2012)

Geometric and Electronic Structures of Phenoxyl Radicals Hydrogen Bonded to Neutral and Cationic Partners., Orio, Maylis, Jarjayes Olivier, Baptiste Benoit, Philouze Christian, Duboc Carole, Mathias Jenny-Lee, Benisvy Laurent, and Thomas Fabrice , Chem. - A Eur. J., Volume 18, Number 17, p.5416–5429, S5416/1–S5416/13, (2012)

Lithium/Sulfur Cell Discharge Mechanism: An Original Approach for Intermediate Species Identification., Barchasz, Céline, Molton Florian, Duboc Carole, Leprêtre Jean-Claude, Patoux Sébastien, and Alloin Fannie. , Anal. Chem. (Washington, DC, United States), Volume 84, Number 9, p.3973–3980, (2012)

Manganese K-Edge X-Ray Absorption Spectroscopy as a Probe of the Metal-Ligand Interactions in Coordination Compounds., Roemelt, Michael, Beckwith Martha A., Duboc Carole, Collomb Marie-Noelle, Neese Frank, and DeBeer Serena. , Inorg. Chem., Volume 51, Number 1, p.680–687, (2012)

Polyoxometalates Functionalized by Bisphosphonate Ligands: Synthesis, Structural, Magnetic, and Spectroscopic Characterizations and Activity on Tumor Cell Lines., Moll, Hani El, Zhu Wei, Oldfield Eric, L Rodriguez-Albelo Marleny, Mialane Pierre, Marrot Jérôme, Vila Neus, Mbomekallé Israel Martyr, Rivière Eric, Duboc Carole, et al. , Inorg. Chem., Volume 51, Number 14, p.7921–7931, (2012)

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)

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)

Visible-Light-Driven Generation of High-Valent Oxo-Bridged Dinuclear and Tetranuclear Manganese Terpyridine Entities Linked to Photoactive Ruthenium Units of Relevance to Photosystem II., Castillo, Carmen E., Romain Sophie, Retegan Marius, Leprêtre Jean-Claude, Chauvin Jérôme, Duboc Carole, Fortage Jérôme, Deronizer Alain, and Collomb Marie-Noelle , Eur. J. Inorg. Chem., Volume 2012, Number 33, p.5485–5499, (2012)

A combined high-field EPR and quantum chemical study on a weakly ferromagnetically coupled dinuclear Mn(III) complex. A complete analysis of the EPR spectrum beyond the strong coupling limit., Retegan, Marius, Collomb Marie-Noelle, Neese Frank, and Duboc Carole , Phys. Chem. Chem. Phys., Volume 15, Number 1, p.223–234, (2013)

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)

Vanadium Thiolate Complexes for Efficient and Selective Sulfoxidation Catalysis: A Mechanistic Investigation., Hall, Nikita, Orio Maylis, Jorge-Robin Adeline, Gennaro Béatrice, Marchi-Delapierre Caroline, and Duboc Carole , Inorg. Chem., Volume 52, Number 23, p.13424–13431, (2013)

A Bio-Inspired Switch Based on Cobalt(II) Disulfide/Cobalt(III) Thiolate Interconversion., Gennari, Marcello, Gerey Bertrand, Hall Nikita, Pécaut Jacques, Collomb Marie-Noelle, Rouzières Mathieu, Clérac Rodolphe, Orio Maylis, and Duboc Carole , Angew. Chemie, Int. Ed., Volume 53, Number 21, p.5318–5321, (2014)

Catalytic activity of chloro and triflate manganese(II) complexes in epoxidation reactions. Reusable catalytic systems for alkene epoxidation., Rich, Jordi, Manrique Ester, Molton Florian, Duboc Carole, Collomb Marie-Noelle, Rodriguez Montserrat, and Romero Isabel. , Eur. J. Inorg. Chem., Volume 2014, Number 16, p.2663–2670, (2014)

On the Road to MM'X Polymers: Redox Properties of Heterometallic Ni···Pt Paddlewheel Complexes., Gennari, Marcello, Givaja Gonzalo, Castillo Oscar, Hermosilla Laura, Gómez-García Carlos J., Duboc Carole, Lledós Agustí, Mas-Ballesté Ruben, and Zamora Felix. , Inorg. Chem., Volume 53, Number 19, p.10553–10562, (2014)

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)

Biophysical and physiological characterization of ZraP from Escherichia coli, the periplasmic accessory protein of the atypical ZraSR two-component system., Petit-Haertlein, Isabelle, Rome Kevin, de Rosny Eve, Molton Florian, Duboc Carole, Gueguen Erwan, Rodrigue Agnès, and Coves Jacques. , Biochem. J., Volume 472, Number 2, p.205–216, (2015)

Ca K-Edge XAS as a Probe of Calcium Centers in Complex Systems., Martin-Diaconescu, Vlad, Gennari Marcello, Gerey Bertrand, Tsui Emily, Kanady Jacob, Tran Rosalie, Pécaut Jacques, Maganas Dimitrios, Krewald Vera, Gouré Eric, et al. , Inorg. Chem., Volume 54, Number 4, p.1283–1292, (2015)

Calcium and heterometallic manganese-calcium complexes supported by tripodal pyridine-carboxylate ligands: structural, EPR and theoretical investigations., Gerey, Bertrand, Gennari Marcello, Gouré Eric, Pécaut Jacques, Blackman Allan, Pantazis Dimitrios A., Neese Frank, Molton Florian, Fortage Jérôme, Duboc Carole, et al. , Dalt. Trans., Volume 44, Number 28, p.12757–12770, (2015)

Copper(I)-photocatalyzed trifluoromethylation of alkenes., Beniazza, R, Molton Florian, Duboc Carole, Tron A, McClenaghan N D., Lastécouères D, and Vincent J.-M. , Chem. Commun. (Cambridge, United Kingdom), Volume 51, Number 46, p.9571–9574, (2015)

Dioxygen Activation and Catalytic Reduction to Hydrogen Peroxide by a Thiolate-Bridged Dimanganese(II) Complex with a Pendant Thiol., Gennari, Marcello, Brazzolotto Deborah, Pécaut Jacques, Cherrier Mickael V., Pollock Christopher J., DeBeer Serena, Retegan Marius, Pantazis Dimitrios A., Neese Frank, Rouzières Mathieu, et al. , J. Am. Chem. Soc., Volume 137, Number 26, p.8644–8653, (2015)

Effective ascorbate-free and photolatent click reactions in water using a photoreducible copper(II)-ethylenediamine precatalyst., Beniazza, Redouane, Bayo Natalia, Molton Florian, Duboc Carole, Massip Stéphane, McClenaghan Nathan, Lastécouères Dominique, and Vincent Jean-Marc. , Beilstein J. Org. Chem., Volume 11, p.1950–1959, (2015)

Heterotetranuclear Complexes of Reduced and Non-reduced Bridging 1,2,4,5-Tetrazine Ligands with 1,1'-Bis(diphenylphosphanyl)-ferrocene-copper(I)., Bach, Monika, Roy Sayak, Sarkar Biprajit, Bubrin Martina, Niemeyer Mark, Fiedler Jan, Duboc Carole, and Kaim Wolfgang. , Zeitschrift fuer Anorg. und Allg. Chemie, Volume 641, Number 2, p.327–331, (2015)

How Accurately Can Extended X-ray Absorption Spectra Be Predicted from First Principles? Implications for Modeling the Oxygen-Evolving Complex in Photosystem II., Beckwith, Martha A., Ames William, Vila Fernando D., Krewald Vera, Pantazis Dimitrios A., Mantel Claire, Pécaut Jacques, Gennari Marcello, Duboc Carole, Collomb Marie-Noelle, et al. , J. Am. Chem. Soc., Volume 137, Number 40, p.12815–12834, (2015)

Determination and prediction of the magnetic anisotropy of Mn ions., Duboc, Carole , Chem. Soc. Rev., Volume 45, Number 21, p.5834–5847, (2016)

An Experimental and Theoretical Investigation on Pentacoordinated Cobalt(III) Complexes with an Intermediate S=1 Spin State: How Halide Ligands Affect their Magnetic Anisotropy., Brazzolotto, Deborah, Gennari Marcello, Yu Shengying, Pécaut Jacques, Rouzières Mathieu, Clérac Rodolphe, Orio Maylis, and Duboc Carole , Chem. - A Eur. J., Volume 22, Number 3, p.925–933, (2016)

Multifrequency cw-EPR and DFT Studies of an Apparent Compressed Octahedral Cu(II) Complex., Hall, Nikita, Orio Maylis, Gennari Marcello, Wills Christopher, Molton Florian, Philouze Christian, Jameson Geoffrey B., Halcrow Malcolm A., Blackman Allan, and Duboc Carole , Inorg. Chem., Volume 55, Number 4, p.1497–1504, (2016)

Nickel-centred proton reduction catalysis in a model of [NiFe] hydrogenase., Brazzolotto, Deborah, Gennari Marcello, Queyriaux Nicolas, Simmons Trevor R., Pécaut Jacques, Demeshko Serhiy, Meyer Franc, Orio Maylis, Artero Vincent, and Duboc Carole , Nat. Chem., Volume 8, Number 11, p.1054–1060, (2016)

Origin of the Zero-Field Splitting in Mononuclear Octahedral MnIV Complexes: A Combined Experimental and Theoretical Investigation., Zlatar, Matija, Gruden Maja, Vassilyeva Olga Yu, Buvaylo Elena A., Ponomarev A N., Zvyagin S A., Wosnitza J, Krzystek J, Garcia-Fernandez Pablo, and Duboc Carole , Inorg. Chem., Volume 55, Number 3, p.1192–1201, (2016)

Room Temperature Magnetic Switchability Assisted by Hysteretic Valence Tautomerism in a Layered Two-Dimensional Manganese-Radical Coordination Framework., Lannes, Anthony, Suffren Yan, Tommasino Jean Bernard, Chiriac Rodica, Toche François, Khrouz Lhoussain, Molton Florian, Duboc Carole, Kieffer Isabelle, Hazemann Jean-Louis, et al. , J. Am. Chem. Soc., Volume 138, Number 50, p.16493–16501, (2016)

Divalent Thulium Triflate: A Structural and Spectroscopic Study., Xémard, Mathieu, Jaoul Arnaud, Cordier Marie, Molton Florian, Cador Olivier, Le Guennic Boris, Duboc Carole, Maury Olivier, Clavaguéra Carine, and Nocton Gregory. , Angew. Chemie, Int. Ed., Volume 56, Number 15, p.4266–4271, (2017)

Heterogenization of a [NiFe] Hydrogenase Mimic through Simple and Efficient Encapsulation into a Mesoporous MOF., Balestri, Davide, Roux Yoann, Mattarozzi Monica, Mucchino Claudio, Heux Laurent, Brazzolotto Deborah, Artero Vincent, Duboc Carole, Pelagatti Paolo, Marchiò Luciano, et al. , Inorg. Chem., Volume 56, p.14801–14808, (2017)

Heterogenization of a [NiFe] Hydrogenase Mimic through Simple and Efficient Encapsulation into a Mesoporous MOF, Balestri, Davide, Roux Yoann, Mattarozzi Monica, Mucchino Claudio, Heux Laurent, Brazzolotto Deborah, Artero Vincent, Duboc Carole, Pelagatti Paolo, Marchiò Luciano, et al. , Inorganic Chemistry, Volume 56, p.14801-14808, (2017)

A High-Valent Non-Heme μ-Oxo Manganese(IV) Dimer Generated from a Thiolate-Bound Manganese(II) Complex and Dioxygen., Brazzolotto, Deborah, Reinhard Fabián G. Cantú, Smith-Jones Julian, Retegan Marius, Amidani Lucia, Faponle Abayomi S., Ray Kallol, Philouze Christian, de Visser Sam P., Gennari Marcello, et al. , Angew. Chemie, Int. Ed., Volume 56, Number 28, p.8211–8215, (2017)

Molecular Catalysts for N2 Reduction: State of the Art, Mechanism, and Challenges., Roux, Yoann, Duboc Carole, and Gennari Marcello , ChemPhysChem, Volume 18, Number 19, p.2606–2617, (2017)

Molecular Catalysts for N2 Reduction: State of the Art, Mechanism, and Challenges, Roux, Yoann, Duboc Carole, and Gennari Marcello , ChemPhysChem, Volume 18, p.2606-2617, (2017)

New insights into the decomposition mechanism of chlorine dioxide at alkaline pH., Marcon, Jennifer, Mortha Gerard, Marlin Nathalie, Molton Florian, Duboc Carole, and Burnet Auphelia. , Holzforschung, Volume 71, Number 7-8, p.599–610, (2017)

Trapping of superoxido cobalt and peroxido dicobalt species formed reversibly from CoII and O2., Corona, Teresa, Padamati Sandeep K., Acuña-Parés Ferran, Duboc Carole, Browne Wesley R., and Company Anna. , Chem. Commun. (Cambridge, United Kingdom), Volume 53, Number 86, p.11782–11785, (2017)

Experimental and Theoretical Identification of the Origin of Magnetic Anisotropy in Intermediate Spin Iron(III) Complexes, Wang, Lianke, Matija Zlatar, Filip Vlahović, Serhiy Demeshko, Philouze Christian, Molton Florian, Gennari Marcello, Franc Meyer, Duboc Carole, and Maja Gruden , Chemistry – A European Journal, Volume 24, p.5091-5094, (2018)

Experimental and Theoretical Identification of the Origin of Magnetic Anisotropy in Intermediate Spin Iron(III) Complexes., Wang, Lianke, Zlatar Matija, Vlahovic Filip, Demeshko Serhiy, Philouze Christian, Molton Florian, Gennari Marcello, Meyer Franc, Duboc Carole, and Gruden Maja. , Chem. - A Eur. J., Volume 24, Number 20, p.5091–5094, (2018)