Département de chimie moléculaire

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)

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)

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)

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)

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)

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)

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)

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)

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)

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 , 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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)