Département de chimie moléculaire

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)

Bio-inspired, Multifunctional Metal–Thiolate Motif: From Electron Transfer to Sulfur Reactivity and Small-Molecule Activation, Gennari, Marcello, and Duboc Carole , Accounts of Chemical Research, Volume 53, p.2753-2761, (2020)

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)

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)

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)

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)

Combined Experimental and Theoretical Investigation of the Origin of Magnetic Anisotropy in Pentagonal Bipyramidal Isothiocyanato Co(II), Ni(II), and Fe(III) Complexes with Quaternary-Ammonium-Functionalized 2,6-Diacetylpyridine Bisacylhydrazone, Darmanović, Darinka, Shcherbakov Igor N., Duboc Carole, Spasojević Vojislav, Hanžel Darko, Anđelković Katarina, Radanović Dušanka, Turel Iztok, Milenković Milica, Gruden Maja, et al. , The Journal of Physical Chemistry C, Volume 123, p.31142-31155, (2019)

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)

Controlled O2 reduction at a mixed-valent (II,I) Cu2S core, Mangue, Jordan, Gondre Clément, Pécaut Jacques, Duboc Carole, Ménage Stéphane, and Torelli Stéphane , Chem. Commun., Volume 56, p.9636-9639, (2020)

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)

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)

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)

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

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)

Divalent Thulium Crown Ether Complexes with Field-Induced Slow Magnetic Relaxation, Xémard, Mathieu, Cordier Marie, Molton Florian, Duboc Carole, Le Guennic Boris, Maury Olivier, Cador Olivier, and Nocton Grégory , Inorganic Chemistry, Volume 58, p.2872-2880, (2019)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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 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)

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)

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)

H2O2 Oxidation by FeIII-OOH Intermediates and Its Effect on Catalytic Efficiency., Chen, Juan, Draksharapu Apparao, Angelone Davide, Unjaroen Duenpen, Padamati Sandeep K., Hage Ronald, Swart Marcel, Duboc Carole, and Browne Wesley R. , ACS Catal., Volume 8, Number 10, p.9665–9674, (2018)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

Hydrogen Evolution from Aqueous Solutions Mediated by a Heterogenized [NiFe]-Hydrogenase Model: Low pH Enables Catalysis through an Enzyme-relevant Mechanism., Ahmed, Md Estak, Chattopadhyay Samir, Wang Lianke, Brazzolotto Deborah, Pramanik Debajyoti, Aldakov Dmitry, Fize Jennifer, Morozan Adina, Gennari Marcello, Duboc Carole, et al. , Angew. Chemie, Int. Ed., Volume 57, Number 49, p.16001–16004, (2018)

Hydrogen Evolution from Aqueous Solutions Mediated by a Heterogenized [NiFe]-Hydrogenase Model: Low pH Enables Catalysis through an Enzyme-Relevant Mechanism, Ahmed, Md Estak, Chattopadhyay Samir, Wang Lianke, Brazzolotto Deborah, Pramanik Debajyoti, Aldakov Dmitry, Fize Jennifer, Morozan Adina, Gennari Marcello, Duboc Carole, et al. , Angewandte Chemie International Edition, Volume 57, p.16001-16004, (2018)

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)

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)