Département de chimie moléculaire

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)

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)

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)

O2 Activation by Non-Heme Thiolate-Based Dinuclear Fe Complexes, Wang, Lianke, Gennari Marcello, Reinhard Fabián G. Cantú, Padamati Sandeep K., Philouze Christian, Flot David, Demeshko Serhiy, Browne Wesley R., Meyer Franc, de Visser Sam P., et al. , Inorganic Chemistry, Volume 59, p.3249-3259, (2020)

Repurposing a Bio-Inspired NiFe Hydrogenase Model for CO2 Reduction with Selective Production of Methane as the Unique C-Based Product, Ahmed, Md Estak, Adam Suzanne, Saha Dibyajyoti, Fize Jennifer, Artero Vincent, Dey Abhishek, and Duboc Carole , ACS Energy Letters, Volume 5, p.3837-3842, (2020)

Role of the Metal Ion in Bio-Inspired Hydrogenase Models: Investigation of a Homodinuclear FeFe Complex vs Its Heterodinuclear NiFe Analogue, Wang, Lianke, Gennari Marcello, Barrozo Alexandre, Fize Jennifer, Philouze Christian, Demeshko Serhiy, Meyer Franc, Orio Maylis, Artero Vincent, and Duboc Carole , ACS Catalysis, Volume 10, p.177-186, (2020)

Role of the Metal Ion in Bio-Inspired Hydrogenase Models: Investigation of a Homodinuclear FeFe Complex vs Its Heterodinuclear NiFe Analogue, Wang, Lianke, Gennari Marcello, Barrozo Alexandre, Fize Jennifer, Philouze Christian, Demeshko Serhiy, Meyer Franc, Orio Maylis, Artero Vincent, and Duboc Carole , ACS Catalysis, Volume 10, p.177-186, (2020)

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)

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)

Mononuclear Ni(II) Complexes with a S3O Coordination Sphere Based on a Tripodal Cysteine-Rich Ligand: pH Tuning of the Superoxide Dismutase Activity, Domergue, Jérémy, Pécaut Jacques, Proux Olivier, Lebrun Colette, Gateau Christelle, Le Goff Alan, Maldivi Pascale, Duboc Carole, and Delangle Pascale , Inorganic Chemistry, Volume 58, p.12775-12785, (2019)

A Non-Heme Diiron Complex for (Electro)catalytic Reduction of Dioxygen: Tuning the Selectivity through Electron Delivery, Wang, Lianke, Gennari Marcello, Reinhard Fabián G. Cantú, Gutiérrez Javier, Morozan Adina, Philouze Christian, Demeshko Serhiy, Artero Vincent, Meyer Franc, de Visser Sam P., et al. , Journal of the American Chemical Society, Volume 141, p.8244-8253, (2019)

A Non-Heme Diiron Complex for (Electro)catalytic Reduction of Dioxygen: Tuning the Selectivity through Electron Delivery, Wang, Lianke, Gennari Marcello, Cantù Fabiàn G., Gutiérrez Javier, Morozan Adina, Philouze Christian, Demeshko Serhiy, Artero Vincent, Meyer Franc, de Visser Sam P., et al. , Journal of the American Chemical Society, Volume 141, p.8244-8253, (2019)

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)

Tuning Reactivity of Bioinspired [NiFe]-Hydrogenase Models by Ligand Design and Modeling the CO Inhibition Process, Brazzolotto, Deborah, Wang Lianke, Tang Hao, Gennari Marcello, Queyriaux Nicolas, Philouze Christian, Demeshko Serhiy, Meyer Franc, Orio Maylis, Artero Vincent, et al. , ACS Catalysis, Volume 8, p.10658-10667, (2018)

Tuning Reactivity of Bioinspired [NiFe]-Hydrogenase Models by Ligand Design and Modeling the CO Inhibition Process., Brazzolotto, Deborah, Wang Lianke, Tang Hao, Gennari Marcello, Queyriaux Nicolas, Philouze Christian, Demeshko Serhiy, Meyer Franc, Orio Maylis, Artero Vincent, et al. , ACS Catal., Volume 8, Number 11, p.10658–10667, (2018)

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)

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)

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)

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)

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)