Département de chimie moléculaire

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)

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)

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)

Photoredox Catalysis at Copper(II) on Chitosan: Application to Photolatent CuAAC., Jennah, Oumayma, Beniazza Redouane, Lozach Cedric, Jardel Damien, Molton Florian, Duboc Carole, Buffeteau Thierry, Kadib Abdelkrim El, Lastécouères Dominique, Lahcini Mohammed, et al. , Adv. Synth. Catal., Volume 360, Number 23, p.4615–4624, (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)

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)