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List of works by Carole Duboc

A Fully Delocalized Mixed-Valence Bis-μ(Thiolato) Dicopper Complex: A Structural and Functional Model of the Biological CuA Center

article

A High-Valent Non-Heme μ-Oxo Manganese(IV) Dimer Generated from a Thiolate-Bound Manganese(II) Complex and Dioxygen

scientific article

A Non-Heme Diiron Complex for (Electro)catalytic Reduction of Dioxygen: Tuning the Selectivity through Electron Delivery

scientific article published on 07 May 2019

A Systematic Density Functional Study of the Zero-Field Splitting in Mn(II) Coordination Compounds

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

A copper thiolate centre for electron transfer: mononuclear vs. dinuclear complexes

scientific article published on 08 February 2012

A fluorous copper(II)–carboxylate complex which magnetically and reversibly responds to humidity in the solid state

A multifrequency high-field EPR (9–285GHz) investigation of a series of dichloride mononuclear penta-coordinated Mn(II) complexes

A radical-bridged bis(ferrocenylcopper(I)) complex: Structural identity, multifrequency EPR, and spectroelectrochemistry

A series of metal complexes with the non-innocent N,N'-bis(pentafluorophenyl)-o-phenylenediamido ligand: twisted geometry for tuning the electronic structure

scientific article

A tetranuclear organorhenium(i) complex of the 2,3,5,6-tetrafluoro-7,7,8,8-tetracyano-p-quinodimethane radical anion, TCNQF4˙−

scientific article published on 08 September 2008

An Experimental and Theoretical Investigation on Pentacoordinated Cobalt(III) Complexes with an Intermediate S=1 Spin State: How Halide Ligands Affect their Magnetic Anisotropy

scientific article published on 26 November 2015

An Odd-Electron Complex [Ruk(NOm)(Qn)(terpy)]2+with Two Prototypical Non-Innocent Ligands

scientific article published on 01 January 2009

An unprecedented bridging phenoxyl radical in dicopper(II) complexes: evidence for an s=3/2 spin state

scientific article published in January 2005

An unusual stable mononuclear Mn(III) bis-terpyridine complex exhibiting Jahn-Teller compression: electrochemical synthesis, physical characterisation and theoretical study

scientific article

Artificial metalloenzyme for enantioselective sulfoxidation based on vanadyl-loaded streptavidin.

scientific article published on 29 May 2008

Bio-inspired, Multifunctional Metal-Thiolate Motif: From Electron Transfer to Sulfur Reactivity and Small-Molecule Activation

scientific article published on 19 October 2020

Biophysical and physiological characterization of ZraP from Escherichia coli, the periplasmic accessory protein of the atypical ZraSR two-component system.

scientific article published on 5 October 2015

Ca K-edge XAS as a probe of calcium centers in complex systems.

scientific article published on 10 December 2014

Calcium and heterometallic manganese-calcium complexes supported by tripodal pyridine-carboxylate ligands: structural, EPR and theoretical investigations

scientific article published in July 2015

Changes in magnetic properties from solid state to solution in a trinuclear linear copper(ii) complex

Complexes of [Re(CO)3Cl] with different oxidation states of the polyfunctional bmtz/H2bmtz ligand system (bmtz=3,6-bis(2-pyrimidyl)-1,2,4,5-tetrazine)

Controlled O2 reduction at a mixed-valent (II,I) Cu2S core

scientific article published on 23 July 2020

Copper(i)-photocatalyzed trifluoromethylation of alkenes

scientific article published on 01 June 2015

Correction to Lithium/Sulfur Cell Discharge Mechanism: An Original Approach for Intermediate Species Identification

scientific article published on 17 September 2020

Definition of Magneto-Structural Correlations for the MnIIIon

Determination and prediction of the magnetic anisotropy of Mn ions

scientific article published on 10 August 2016

Dioxygen Activation and Catalytic Reduction to Hydrogen Peroxide by a Thiolate-Bridged Dimanganese(II) Complex with a Pendant Thiol.

scientific article published on 29 June 2015

Divalent Thulium Crown Ether Complexes with Field-Induced Slow Magnetic Relaxation

scientific article published on 06 February 2019

Divalent Thulium Triflate: A Structural and Spectroscopic Study.

scientific article

Dramatic Solid-State Humidity-Induced Modification of the Magnetic Coupling in a Dimeric Fluorous Copper(II)−Carboxylate Complex

Drug Discovery and Development

scientific article published on 26 February 2024

ECOSTBio: Explicit Control Over Spin States in Technology and Biochemistry.

scientific article published on 24 March 2018

Effect of the Metal on Disulfide/Thiolate Interconversion: Manganese versus Cobalt

scientific article published on 09 November 2015

Electrochemical fabrication and characterization of thin films of redox-active molecular wires based on extended Rh-Rh bonded chains.

scientific article published on 3 March 2008

Electrochemical formation of bi- versus tetranuclear μ-oxo terpyridine manganese complexes in CH3CN. Influence of the terpyridine substituents

Electron delocalisation in a trinuclear copper(ii) complex: high-field EPR characterization and magnetic properties of Na3[Cu3(mal)3(H2O)]·8H2O

scientific article published on 01 December 2005

Evidence for the dimer-of-(mixed-valent dimers) configuration in tetranuclear {(μ4-TCNX)[Ru(NH3)5]4}8+, TCNX = TCNE and TCNQ, from DFT calculations

article

Experimental and Theoretical Identification of the Origin of Magnetic Anisotropy in Intermediate Spin Ground State Iron(III) Complexes

scientific article published on 15 February 2018

Experimental and computational investigation of thiolate alkylation in Ni(II) and Zn(II) complexes: role of the metal on the sulfur nucleophilicity

scientific article

Factors influencing mononuclear versus multinuclear coordination in a series of potentially hexadentate acyclic N6 ligands: the roles of flexibility and chelate ring size

scientific article published on 16 September 2011

Front Cover: ECOSTBio: Explicit Control Over Spin States in Technology and Biochemistry (Chem. Eur. J. 20/2018)

Geometric and Electronic Structures of Phenoxyl Radicals Hydrogen Bonded to Neutral and Cationic Partners

scientific article published on 13 March 2012

H2O2 Oxidation by FeIII–OOH Intermediates and Its Effect on Catalytic Efficiency

scientific article published on 6 September 2018

Heterogenization of a [NiFe] Hydrogenase Mimic through Simple and Efficient Encapsulation into a Mesoporous MOF.

scientific article

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.

scientific article published in July 2009

High-Field EPR Study of Frozen Aqueous Solutions of Iron(III) Citrate Complexes

High-field EPR investigation of a series of mononuclear Mn(II) complexes doped into Zn(II) hosts

High-frequency EPR and structural data as complementary information on stable radical complexes containing the semi-reduced azo function

High-frequency EPR study of reduced diruthenium and dirhenium polypyridine complexes based on the 1,2,4,5-tetrazine radical bridge

scientific article published on 8 October 2004

High-spin chloro mononuclear MnIII complexes: a multifrequency high-field EPR study

scientific article published in March 2005

How single and bifurcated hydrogen bonds influence proton-migration rate constants, redox, and electronic properties of phenoxyl radicals

scientific article published in February 2004

Hydrogen Evolution from Aqueous Solutions Mediated by a Heterogenized [NiFe]-Hydrogenase Model: Low pH Enables Catalysis through an Enzyme-Relevant Mechanism

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

scientific article

Intramolecularly hydrogen-bonded versus copper(II) coordinated mono- and bis-phenoxyl radicals

scientific article published on 5 August 2004

Investigation of a Neat versus Magnetically Diluted Powdered Mononuclear MnII Complex by High-Field and High-Frequency EPR Spectroscopy

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

scholarly article by Jordi Rich et al published 22 June 2010 in European Journal of Inorganic Chemistry

Lithium/sulfur cell discharge mechanism: an original approach for intermediate species identification

scientific article published on 20 April 2012

Manganese K-Edge X-Ray Absorption Spectroscopy as a Probe of the Metal–Ligand Interactions in Coordination Compounds

Manganese Kβ X-ray emission spectroscopy as a probe of metal-ligand interactions

scientific article published on August 2011

Mechanism and product characterization from the electroreduction of heterodinuclear complexes [(C5Me5)ClM(μ-L)Re(CO)3X](PF6), M=Rh or Ir, L=2,2′-azobispyridine or 2,2′-azobis(5-chloropyrimidine), X=halide

Mixed-valent and radical states of complexes [(bpy)2M(μ-abpy)M′(bpy)2]n+, M,M′=Ru or Os, abpy=2,2′-azobispyridine: Electron transfer vs. hole transfer mechanism in azo ligand-bridged complexes

Molecular Catalysts for N2 Reduction: State of the Art, Mechanism, and Challenges

scientific article

Molecule-bridged mixed-valent intermediates involving the Ru I oxidation state

scientific article published in November 2004

Mononuclear Mn(III) and Mn(IV) bis-terpyridine complexes: electrochemical formation and spectroscopic characterizations

scientific article

Mononuclear Ni(II) Complexes with a S3O Coordination Sphere Based on a Tripodal Cysteine-Rich Ligand: pH Tuning of the Superoxide Dismutase Activity

scientific article published on 23 September 2019

Multi-frequency high-field EPR studies on metal-substituted xylose isomerase.

scientific article published in November 2005

Multifrequency EPR and Redox Reactivity Investigations of a Bis(μ-thiolato)-dicopper(II,II) Complex

scientific article published on 01 December 2006

Multifrequency cw-EPR and DFT Studies of an Apparent Compressed Octahedral Cu(II) Complex

scientific article published on 27 January 2016

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

Multifrequency high-field EPR investigation of a mononuclear manganese(iv) complex

Multireversible Redox Processes in Pentanuclear Bis(Triple-Helical) Manganese Complexes Featuring an Oxo-Centered triangular {MnII2MnIII(μ3-O)}5+or {MnIIMnIII2(μ3-O)}6+Core Wrapped by Two {MnII2(bpp)3}−

scientific article published on 03 August 2011

New Chemical Tools for Diagnosis and Treatment of Cancer

scientific article published on 23 May 2022

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).

scientific article published in December 2005

Nickel-centred proton reduction catalysis in a model of [NiFe] hydrogenase.

scientific article published on 18 July 2016

O2 Activation by Non-Heme Thiolate-Based Dinuclear Fe Complexes

scientific article published on 14 February 2020

On the road to MM'X polymers: redox properties of heterometallic Ni···Pt paddlewheel complexes

scientific article published on 19 September 2014

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.

scientific article

Oxidative Perhydroxylation of [closo-B12H12]2− to the Stable Inorganic Cluster Redox System [B12(OH)12]2−/.−: Experiment and Theory

article

Photoredox Catalysis at Copper(II) on Chitosan: Application to Photolatent CuAAC

Polyoxometalates functionalized by bisphosphonate ligands: synthesis, structural, magnetic, and spectroscopic characterizations and activity on tumor cell lines.

scientific article

Pulsed-EPR Evidence of a Manganese(II) Hydroxycarbonyl Intermediate in the Electrocatalytic Reduction of Carbon Dioxide by a Manganese Bipyridyl Derivative

scientific article published on 20 November 2013

Redox-Induced μ-Acetato and μ-Oxo Core Interconversions in Dinuclear Manganese Tris(2-methylpyridyl)amine (tpa) Complexes: Isolation and Characterization of [Mn2III(μ-O)(μ-O2CCH3)(tpa)2]3+

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

scientific article published in July 2010

Room Temperature Magnetic Switchability Assisted by Hysteretic Valence Tautomerism in a Layered Two-Dimensional Manganese-Radical Coordination Framework

scientific article

Soluble heterometallic coordination polymers based on a bis-terpyridine-functionalized dioxocyclam ligand

scientific article published in March 2010

Solvent‐ and Halide‐Induced (Inter)conversion between Iron(II)‐Disulfide and Iron(III)‐Thiolate Complexes

scientific article published on 29 June 2018

Spectroelectrochemistry and DFT analysis of a new {RuNO}n redox system with multifrequency EPR suggesting conformational isomerism in the {RuNO}7 state

scientific article published on 28 September 2007

Spectroscopic characterization of the metal-binding sites in the periplasmic metal-sensor domain of CnrX from Cupriavidus metallidurans CH34.

scientific article published on 3 October 2011

Structural and magnetic properties of Mn(III) and Cu(II) tetranuclear azido polyoxometalate complexes: multifrequency high-field EPR spectroscopy of Cu4 clusters with S = 1 and S = 2 ground states

scientific article published in February 2006

Structural characterization and electronic properties determination by high-field and high-frequency EPR of a series of five-coordinated Mn(II) complexes

scientific article published in October 2004

Structural, magnetic, EPR, and electrochemical characterizations of a spin-frustrated trinuclear Cr(III) polyoxometalate and study of its reactivity with lanthanum cations

scientific article

Structural, spectroscopic and redox properties of a mononuclear CoII thiolate complex – the reactivity toward S-alkylation: an experimental and theoretical study

scientific article published on 01 October 2012

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

article by Stéphanie Frantz et al published April 2009 in Journal of Organometallic Chemistry

Sulfonium Polyoxometalates: A New Class of Solid-State Photochromic Hybrid Organic–Inorganic Materials

scientific article published on 08 January 2013

Sunlight-driven copper-catalyst activation applied to photolatent click chemistry

scientific article

Syntheses, X-ray structures, solid state high-field electron paramagnetic resonance, and density-functional theory investigations on chloro and aqua Mn(II) mononuclear complexes with amino-pyridine pentadentate ligands

scientific article published on 26 September 2008

Synthesis and characterizations of cyclic octanuclear mixed-valence vanadium(iv,v) clusters with polyoxometalate counterions

scientific article published on 21 September 2006

Synthesis and electron paramagnetic resonance studies of seven coordinated Mn(II) complexes with tridentate N-donor ligands

Systematic Theoretical Study of the Zero-Field Splitting in Coordination Complexes of Mn(III). Density Functional Theory versus Multireference Wave Function Approaches

Tetranuclear Complexes of [Fe(CO)2(C5H5)]+with TCNX Ligands (TCNX = TCNE, TCNQ, TCNB): Intramolecular Electron Transfer Alternatives in Compounds (μ4-TCNX)[MLn]4

scientific article published on 11 August 2007

The HighestDValue for a MnIIIon: Investigation of a Manganese(II) Polyoxometalate Complex by High-Field Electron Paramagnetic Resonance

scientific article published on 16 August 2007

The Solution Chemistry of Cu2+-tren Complexes Revisited: Exploring the Role of Species That Are Not Trigonal Bipyramidal

The redox series [M(bpy)2(q)]n+, M = Ru or Os, Q = 3,5-di-tert-butyl-n-phenyl-1,2-benzoquinonemonoimine. Isolation and a complete X and W band EPR study of the semiquinone states (n = 1).

scientific article published in April 2005

Trapping of superoxido cobalt and peroxido dicobalt species formed reversibly from CoII and O2.

scientific article published on 16 October 2017

Trinuclear terpyridine frustrated spin system with a Mn(IV)3O4 core: synthesis, physical characterization, and quantum chemical modeling of its magnetic properties

scientific article published in November 2009

Tuning Reactivity of Bioinspired [NiFe]-Hydrogenase Models by Ligand Design and Modeling the CO Inhibition Process

Understanding the Zero-Field Splitting of Mononuclear Manganese(II) Complexes from Combined EPR Spectroscopy and Quantum Chemistry

scholarly article by Carole Duboc et al published 14 November 2009 in Applied Magnetic Resonance

Vanadium thiolate complexes for efficient and selective sulfoxidation catalysis: a mechanistic investigation

scientific article published on 13 November 2013

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

scholarly article by Carmen E Castillo et al published 19 September 2012 in European Journal of Inorganic Chemistry