curriculum.php cdubca

Dr. Carole Duboc

CNRS Director of Research (CoNRS Section13)
Office : C312
Phone : +33 (0) 4 76 51 41 34
Fax : +33 (0) 4 76 51 42 67
E-mail :

Research Profile

Electronic properties of transition metal ion complexes by high field multi-frequency EPR spectroscopy and quantum chemistry. Magneto-structural correlations.
Bioinorganic chemistry. Reactivity of thiolate metal complexes & Magneto-structural correlation. (see more..)

Short CV


Leader of two scientific projects: (i) elucidation of the electronic structure of transition metal ion complexes using an original approach combining experimental and theoretical data, and (ii) bio-inspired complexes to develop structural and/or functional models of metalloenzymes.
Keywords. Coordination chemistry. EPR spectroscopy. Sulfur-based ligand. Metal thiolate complexes. O2 reduction. H+ reduction. [NiFe] hydrogenase. Electronic structure. Bio-inorganic chemistry.


  • 2005 French Habilitation (HDR) at Joseph Fourier University, Grenoble, France
  • 1998 PhD at Joseph Fourier University, Grenoble, France (M. Fontecave)

Previous Positions

  • 2007-10 CNRS Researcher at the Joseph Fourier University, Molecular Chemistry Department, Grenoble, France
  • 2000-07 CNRS Researcher at the High Magnetic Field Laboratory, Grenoble, France
  • 1999-00 Postdoc at the High Magnetic Field Laboratory, Grenoble, France
  • 1998-99 Postdoc at the University of Minnesota, Minneapolis, USA (W.B. Tolman)

Fellowships and Awards

  • 2007 CNRS Young Researcher Award, “Bronze Medal”
  • 2007 Young Researcher Award of the French Chemical Society (Physical Chemistry division)
  • 1998 Laureate of a Humboldt Research Fellowship for postdoctoral researcher (declined)

Editorial Activity

  • 2016 Advisory board member of the ACS journal "Inorganic Chemistry"

Publications Overview

113 publications (2535 citations . h-factor 29) in peer-reviewed international journals including
  • 9 Angew. Chem.
  • 7 J. Am. Chem. Soc.
  • 9 Chem. Eur. J.
  • 33 Inorg. Chem.
  • 12 Dalton Trans.
40 communications (including 13 invited lectures) at national/international scientific events


Frank Neese and Serena DeBeer at the MPI of Chemical Energy Conversion, Mülheim, Germany
Franc Meyer at the Göttingen University, Germany
Vincent Artero at the CEA Grenoble, France
Maylis Orio at the Aix-Marseille University, France
Rodolphe Clérac at the Centre de Recherche Paul Pascal, Bordeaux, France
Allan Blackman at the Auckland University, New Zealand
Maja Gruden at the University of Belgrade, Serbia
Jurek Krzystek at the High Magnetic Field Laboratory, Tallahassee, USA
Pablo Garcia-Fernandez at the University of Cantabria, Spain
Jean-Marc Vincent & Nathan McClenaghan at the University of Bordeaux, France

Publications 2016

Brazzolotto, D., Gennari, M., Yu, S., Pecaut, J., Rouzieres, M., Clerac, R., Orio, M. and Duboc, C.,
An Experimental and Theoretical Investigation on Pentacoordinated Cobalt(III) Complexes with an Intermediate S=1 Spin State: How Halide Ligands Affect their Magnetic Anisotropy
CHEM-EUR J, Juin 2016, 22, 925-933 [0947-6539] 10.1002/chem.201502997 more...
C. , Duboc
Determination and prediction of the magnetic anisotropy of Mn ions
CHEM SOC REV, Août 2016, n.c., n.c. [0306-0012] 10.1039/C5CS00898K more...
Hall, N., Orio, M., Gennari, M., Wills, C., Molton, F., Philouze, C., Jameson, G. B., Halcrow, M. A., Blackman, A. G. and Duboc, C.
Multifrequency cw-EPR and DFT Studies of an Apparent Compressed Octahedral Cu(II) Complex
INORG CHEM, Janvier 2016, 55, 1497-1504 [0020-1669] 10.1021/acs.inorgchem.5b02287 more...
Brazzolotto, D., Gennari, M., Queyriaux, N., Simmons, T. R., Pecaut, J., Demeshko, S., Meyer, F., Orio, M., Artero, V. and Duboc, C.
Nickel-centred proton reduction catalysis in a model of NiFe hydrogenase
NAT CHEM, Juin 2016, 8, 1054-1060 [1755-4330] 10.1038/nchem.2575 more...
Zlatar, M., Gruden, M., Vassilyeva, O. Y., Buvaylo, E. A., Ponomarev, A. N., Zvyagin, S. A., Wosnitza, J., Krzystek, J., Garcia-Fernandez, P. and Duboc, C.,
Origin of the Zero-Field Splitting in Mononuclear Octahedral Mn-IV Complexes: A Combined Experimental and Theoretical Investigation
INORG CHEM, Juin 2016, 55, 1192-1201 [0020-1669] 10.1021/acs.inorgchem.5b02368 more...
Lannes, A., Suffren, Y., Tommasino, J. B., Chiriac, R., Toche, F., Khrouz, L., Molton, F., Duboc, C., Kieffer, I., Hazemann, J.-L., Reber, C., Hauser, A. and Luneau, D.
Room Temperature Magnetic Switchability Assisted by Hysteretic Valence Tautomerism in a Layered Two-Dimensional Manganese-Radical Coordination Framework
J AM CHEM SOC, Novembre 2016, 138, 16493-16501 [0002-7863] 10.1021/jacs.6b10544 more...

Publications 2015

Petit-Härtlein, I., Rome, K., de Rosny, E., Molton, F., Duboc, C., Gueguen, E. and Covès, J
Biophysical and physiological characterization of ZraP from Escherichia coli, the periplasmic accessory protein of the atypical ZraSR two-component system.
BIOCHEM J, Janvier 2015, 472(2), 205-216 [0264-6021] 10.1042/bj20150827 more...
V. Martin-Diaconescu, M. Gennari, B. Gerey, E. Tsui, J. Kanady, R. Tran, J. Pécaut, D. Manganas, V. Krewald, E. Gouré, C. Duboc, J. Yano, T. Agapie, M.-N. Collomb, S. DeBeer
Ca K-Edge XAS as a probe of calcium centers in complex systems
INORG CHEM, Janvier 2015, 54, 1283–1292 [0020-1669] 10.1021/ic501991e more...
B. Gerey, M. Gennari, E. Gouré, J. Pécaut, A.G. Blackman, D.A. Pantazis, F. Neese, F. Molton, J. Fortage, C. Duboc, M.-N. Collomb
Calcium and heterometallic manganese-calcium complexes supported by tripodal pyridine-carboxylate ligands: structural, EPR and theoretical investigations
DALTON T, Janvier 2015, -, - [1477-9226] 10.1039/C5DT01776A more...
Beniazza, R., Molton, F., Duboc, C., Tron, A., McClenaghan, N. D., Lastecoueres, D. and & Vincent, J. M.
Copper(I)-photocatalyzed trifluoromethylation of alkenes.
CHEM COMMUN, Janvier 2015, 51(46), 9571-9574 [1359-7345] 10.1039/c5cc01923k more...
Gennari, M., Brazzolotto, D., Pecaut, J., Cherrier, M. V., Pollock, C. J., DeBeer, S. and . . . Duboc, C.
Dioxygen Activation and Catalytic Reduction to Hydrogen Peroxide by a Thiolate-Bridged Dimanganese(II) Complex with a Pendant Thiol.
J AM CHEM SOC, Janvier 2015, 137(26), 8644-8653 [0002-7863] 10.1021/jacs.5b04917 more...
Beniazza, R., Bayo, N., Molton, F., Duboc, C., Massip, S., McClenaghan, N. and . . . Vincent, J.-M.
Effective ascorbate-free and photolatent click reactions in water using a photoreducible copper(II)-ethylenediamine precatalyst.
BEILSTEIN J ORG CHEM, Janvier 2015, 11, 1950-1959 [1860-5397] 10.3762/bjoc.11.211 more...
Bach, M., Roy, S., Sarkar, B., Bubrin, M., Niemeyer, M., Fiedler, J., Duboc, C. and Kaim, W.
Heterotetranuclear Complexes of Reduced and Non-reduced Bridging 1,2,4,5-Tetrazine Ligands 1,1 '-Bis(diphenylphosphanyl)-ferrocene-copper(I).
Z ANORG ALLG CHEM, Janvier 2015, 641(2), 327-331 [0044-2313] 10.1002/zaae.201400564 more...
Beckwith, M. A., Ames, W., Vila, F. D., Krewald, V., Pantazis, D. A., Mantel, C., Pecaut, J., Gennari, M., Duboc, C., Collomb, M.-N., Yano, J., Rehr, J. J., Neese, F. and DeBeer, S.
How Accurately Can Extended X-ray Absorption Spectra Be Predicted from First Principles? Implications for Modeling the Oxygen-Evolving Complex in Photosystem II.
J AM CHEM SOC, Janvier 2015, 137(40), 12815-12834 [0002-7863] 10.1021/jacs.5b00783 more...

Publications 2014

Gennari M., Gerey B., Hall N., Pécaut J., Collomb M.-N., Rouzières M., Clérac R., Orio M. and Duboc C.
A Bio-Inspired Switch Based on Cobalt(II) Disulfide/Cobalt(III) Thiolate Interconversion
ANGEW CHEM INT EDIT, Janvier 2014, 53, 5318 [1433-7851] 10.1002/anie.201402125 more...
Rich J., Manrique E., Molton F., Duboc C., Collomb M.-N., Rodríguez M. and Romero I.
Catalytic Activity of Chloro and Triflate Manganese(II) Complexes in Epoxidation Reactions: Reusable Catalytic Systems for Alkene Epoxidation
EUR J INORG CHEM, Janvier 2014, in press, in press [1434-1948] 10.1002/ejic.201402032 more...
Gennari M., Givaja G., Castillo O., Hermosilla L., Gomez-Garcia C. J., Duboc C., Lledos A., Mas-Balleste R. and Zamora F.
On the Road to MM'X Polymers: Redox Properties of Heterometallic Ni center dot center dot center dot Pt Paddlewheel Complexes
INORG CHEM, Janvier 2014, 53, 10553-10562 [1520-510X] 10.1021/ic501659x more...
Bourrez, Marc, Orio, Maylis, Molton, Florian, Vezin, Hervé, Duboc, Carole, Deronzier, Alain and Chardon-Noblat, Sylvie
Pulsed-EPR Evidence of a Manganese(II) Hydroxycarbonyl Intermediate in the Electrocatalytic Reduction of Carbon Dioxide by a Manganese Bipyridyl Derivative
ANGEW CHEM INT EDIT, Janvier 2014, 126, 244-247 [1433-7851] 10.1002/ange.201306750 more...
Beniazza R., Lambert R., Harmand L., Molton F., Duboc C., Denisov S., Jonusauskas G., McClenaghan N. D., Lastecoueres D. and Vincent J.-M.
Sunlight-Driven Copper-Catalyst Activation Applied to Photolatent Click Chemistry
CHEM-EUR J, Janvier 2014, 20, 13181-13187 [0947-6539] 10.1002/chem.201404056 more...

Publications 2013

Retegan, Marius, Collomb, Marie-Noelle, Neese, Frank and Duboc, Carole
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
PHYS CHEM CHEM PHYS, Janvier 2013, 15, 223-234 [1463-9076] 10.1039/c2cp42955a more...
Hakouk, Khadija, Oms, Olivier, Dolbecq, Anne, El, Moll Hani, Marrot, Jerome, Evain, Michel, Molton, Florian, Duboc, Carole, Deniard, Philippe, Jobic, Stephane, Mialane, Pierre and Dessapt, Remi
Sulfonium Polyoxometalates: A New Class of Solid-State Photochromic Hybrid Organic-Inorganic Materials
INORG CHEM, Janvier 2013, 52, 555-557 [0020-1669] 10.1021/ic302477p more...
Hall, Nikita, Orio, Maylis, Jorge-Robin, Adeline, Gennaro, Beatrice, Marchi-Delapierre, Caroline and Duboc, Carole
Vanadium Thiolate Complexes for Efficient and Selective Sulfoxidation Catalysis: A Mechanistic Investigation
INORG CHEM, Janvier 2013, 52, 13424-13431 [0020-1669] 10.1021/ic4017504 more...

Publications 2012

Gennari, M., Pecaut, J., Collomb, M. N. and Duboc, C.
A copper thiolate centre for electron transfer: mononuclear vs. dinuclear complexes
DALTON T, Janvier 2012, 41, 3130-3133 [1477-9226] 10.1039/c2dt12355j more...
Motreff, A., da Costa, R. C., Allouchi, H., Duttine, M., Mathoniere, C., Duboc, C. and Vincent, J. M.
A fluorous copper(II)-carboxylate complex which magnetically and reversibly responds to humidity in the solid state
J FLUORINE CHEM, Janvier 2012, 134, 49-55 [0022-1139] 10.1016/j.jfluchem.2011.03.002 more...
Orio, M., Jarjayes, O., Baptiste, B., Philouze, C., Duboc, C., Mathias, J. L., Benisvy, L. and Thomas, F.
Geometric and Electronic Structures of Phenoxyl Radicals Hydrogen Bonded to Neutral and Cationic Partners
CHEM-EUR J, Janvier 2012, 18, 5416-5429 [0947-6539] 10.1002/chem.201102854 more...
Barchasz, C., Molton, F., Duboc, C., Lepretre, J. C., Patoux, S. and Alloin, F.
Lithium/Sulfur Cell Discharge Mechanism: An Original Approach for Intermediate Species Identification
ANAL CHEM, Janvier 2012, 84, 3973-3980 [0003-2700] 10.1021/ac2032244 more...
Roemelt, M., Beckwith, M. A., Duboc, C., Collomb, M. N., Neese, F. and DeBeer, S.
Manganese K-Edge X-Ray Absorption Spectroscopy as a Probe of the Metal-Ligand Interactions in Coordination Compounds
INORG CHEM, Janvier 2012, 51, 680-687 [0020-1669] 10.1021/ic202229b more...
El Moll, H., Zhu, W., Oldfield, E., Rodriguez-Albelo, L. M., Mialane, P., Marrot, J., Vila, N., Mbomekalle, I. M., Riviere, E., Duboc, C. and Dolbecq, A.
Polyoxometalates Functionalized by Bisphosphonate Ligands: Synthesis, Structural, Magnetic, and Spectroscopic Characterizations and Activity on Tumor Cell Lines
INORG CHEM, Janvier 2012, 51, 7921-7931 [0020-1669] 10.1021/ic3010079 more...
Gennari, M., Gerey, B., Hall, N., Pecaut, J., Vezin, H., Collomb, M. N., Orio, M. and Duboc, C.
Structural, spectroscopic and redox properties of a mononuclear Co-II thiolate complex - the reactivity toward S-alkylation: an experimental and theoretical study
DALTON T, Janvier 2012, 41, 12586-12594 [1477-9226] 10.1039/c2dt31222k more...
Castillo, C. E., Algarra, A. G., Manez, M. A., Duboc, C. and Basallote, M. G.
The Solution Chemistry of Cu2+-tren Complexes Revisited: Exploring the Role of Species That Are Not Trigonal Bipyramidal
EUR J INORG CHEM, Janvier 2012, , 2514-2526 [1434-1948] 10.1002/ejic.201200075 more...
Castillo, C. E., Romain, S., Retegan, M., Lepretre, J. C., Chauvin, J., Duboc, C., Fortage, J., Deronzier, A. and Collomb, M. N.
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
EUR J INORG CHEM, Janvier 2012, , 5485-5499 [1434-1948] 10.1002/ejic.201200924 more...

Publications 2011

Gennari, M., Pecaut, J., DeBeer, S., Neese, F., Collomb, M. N. and Duboc, C.
A Fully Delocalized Mixed-Valence Bis-mu(Thiolato) Dicopper Complex: A Structural and Functional Model of the Biological Cu-A Center
ANGEW CHEM INT EDIT, Janvier 2011, 50, 5662-5665 [1433-7851] 10.1002/anie.201100605 more...
Romain, S., Duboc, C., Retegan, M., Lepretre, J. C., Blackman, A. G., Deronzier, A. and Collomb, M. N.
Electrochemical formation of bi-versus tetranuclear mu-oxo terpyridine manganese complexes in CH(3)CN. Influence of the terpyridine substituents
INORG CHIM ACTA, Janvier 2011, 374, 187-196 [0020-1693] 10.1016/j.ica.2011.03.016 more...
Gennari, M., Retegan, M., DeBeer, S., Pecaut, J., Neese, F., Collomb, M. N. and Duboc, C.
Experimental and Computational Investigation of Thiolate Alkylation in Ni-II and Zn-II Complexes: Role of the Metal on the Sulfur Nucleophilicity
INORG CHEM, Janvier 2011, 50, 10047-10055 [0020-1669] 10.1021/ic200899w more...
Hall, N. A., Duboc, C., Collomb, M. N., Deronzier, A. and Blackman, A. G.
Factors influencing mononuclear versus multinuclear coordination in a series of potentially hexadentate acyclic N-6 ligands: the roles of flexibility and chelate ring size
DALTON T, Janvier 2011, 40, 12075-12082 [1477-9226] 10.1039/c1dt10627a more...
Gennari, M., Orio, M., Pecaut, J., Bothe, E., Neese, F., Collomb, M. N. and Duboc, C.
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
INORG CHEM, Janvier 2011, 50, 3707-3716 [0020-1669] 10.1021/ic200063d more...
Beckwith, M. A., Roemelt, M., Collomb, M. N., DuBoc, C., Weng, T. C., Bergmann, U., Glatzel, P., Neese, F. and DeBeer, S.
Manganese K beta X-ray Emission Spectroscopy As a Probe of Metal-Ligand Interactions
INORG CHEM, Janvier 2011, 50, 8397-8409 [0020-1669] 10.1021/ic200970t more...
Romain, S., Rich, J., Sens, C., Stoll, T., Benet-Buchholz, J., Llobet, A., Rodriguez, M., Romero, I., Clerac, R., Mathoniere, C., Duboc, C., Deronzier, A. and Collomb, M. N.
Multireversible Redox Processes in Pentanuclear Bis(Triple-Helical) Manganese Complexes Featuring an Oxo-Centered triangular {(Mn2MnIII)-Mn-II(mu(3)-O)}(5+) or {(MnMn2III)-Mn-II(mu(3)-O)}(6+) Core Wrapped by Two {Mn-2(II)(bpp)(3)}(-)
INORG CHEM, Janvier 2011, 50, 8427-8436 [0020-1669] 10.1021/ic201009z more...
Trepreau, J., de Rosny, E., Duboc, C., Sarret, G., Petit-Hartlein, I., Maillard, A. P., Imberty, A., Proux, O. and Coves, J.
Spectroscopic Characterization of the Metal-Binding Sites in the Periplasmic Metal-Sensor Domain of CnrX from Cupriavidus metallidurans CH34
BIOCHEMISTRY-US, Janvier 2011, 50, 9036-9045 [0006-2960] 10.1021/bi201031q more...

Publications 2010

Rich, J., Castillo, C. E., Romero, I., Rodriguez, M., Duboc, C. and Collomb, M. N.
Investigation of the Zero-Field Splitting in Six- and Seven-Coordinate Mononuclear Mn-II Complexes with N/O-Based Ligands by Combining EPR Spectroscopy and Quantum Chemistry
EUR J INORG CHEM, Janvier 2010, , 3658-3665 [1434-1948] 10.1002/ejic.201000373 more...
Van, N., Tiritiris, I., Winter, R. F., Sarkar, B., Singh, P., Duboc, C., Munoz-Castro, A., Arratia-Perez, R., Kaim, W. and Schleid, T.
Oxidative Perhydroxylation of closo-B12H12 (2-) to the Stable Inorganic Cluster Redox System B-12(OH)(12) (2-/.-): Experiment and Theory
CHEM-EUR J, Janvier 2010, 16, 11242-11245 [0947-6539] 10.1002/chem.201001374 more...
Gennari, M., Orio, M., Pecaut, J., Neese, F., Collomb, M. N. and Duboc, C.
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
INORG CHEM, Janvier 2010, 49, 6399-6401 [0020-1669] 10.1021/ic100945n more...
Gasnier, A., Barbe, J. M., Bucher, C., Duboc, C., Moutet, J. C., Saint-Aman, E., Terech, P. and Royal, G.
Soluble Heterometallic Coordination Polymers Based on a Bis-terpyridine-Functionalized Dioxocyclam Ligand
INORG CHEM, Janvier 2010, 49, 2592-2599 [0020-1669] 10.1021/ic901832q more...
Compain, J. D., Mialane, P., Dolbecq, A., Mbomekalle, I. M., Marrot, J., Secheresse, F., Duboc, C. and Riviere, E.
Structural, Magnetic, EPR, and Electrochemical Characterizations of a Spin-Frustrated Trinuclear Cr-III Polyoxometalate and Study of Its Reactivity with Lanthanum Cations
INORG CHEM, Janvier 2010, 49, 2851-2858 [0020-1669] 10.1021/ic902341w more...
Duboc, C., Ganyushin, D., Sivalingam, K., Collomb, M. N. and Neese, F.
Systematic Theoretical Study of the Zero-Field Splitting in Coordination Complexes of Mn(III). Density Functional Theory versus Multireference Wave Function Approaches
J PHYS CHEM A, Janvier 2010, 114, 10750-10758 [1089-5639] 10.1021/jp107823s more...
Duboc, C., Collomb, M. N. and Neese, F.
Understanding the Zero-Field Splitting of Mononuclear Manganese(II) Complexes from Combined EPR Spectroscopy and Quantum Chemistry
APPL MAGN RESON, Janvier 2010, 37, 229-245 [0937-9347] 10.1007/s00723-009-0085-4 more...

Publications 2009

Das, A. K., Sarkar, B., Duboc, C., Strobel, S., Fiedler, J., Zalis, S., Lahiri, G. K. and Kaim, W.
An Odd-Electron Complex Ru-k(NOm)(Q(n))(terpy) (2+) with Two Prototypical Non-Innocent Ligands
ANGEW CHEM INT EDIT, Janvier 2009, 48, 4242-4245 [1433-7851] 10.1002/anie.200900767 more...
Romain, S., Duboc, C., Neese, F., Riviere, E., Hanton, L. R., Blackman, A. G., Philouze, C., Lepretre, J. C., Deronzier, A. and Collomb, M. N.
An Unusual Stable Mononuclear Mn-III Bis-terpyridine Complex Exhibiting Jahn-Teller Compression: Electrochemical Synthesis, Physical Characterisation and Theoretical Study
CHEM-EUR J, Janvier 2009, 15, 980-988 [0947-6539] 10.1002/chem.200801442 more...
Motreff, A., da Costa, R. C., Allouchi, H., Duttine, M., Mathoniere, C., Duboc, C. and Vincent, J. M.
Dramatic Solid-State Humidity-Induced Modification of the Magnetic Coupling in a Dimeric Fluorous Copper(II)-Carboxylate Complex
INORG CHEM, Janvier 2009, 48, 5623-5625 [0020-1669] 10.1021/ic9005218 more...
Zalis, S., Sarkar, B., Duboc, C. and Kaim, W.
Evidence for the dimer-of-(mixed-valent dimers) configuration in tetranuclear {(mu(4)-TCNX) Ru(NH3)(5) (4)}(8+), TCNX = TCNE and TCNQ, from DFT calculations
MONATSH CHEM, Janvier 2009, 140, 765-773 [0026-9247] 10.1007/s00706-009-0129-3 more...
Roy, S., Sarkar, B., Duboc, C., Fiedler, J., Sarper, O., Lissner, F., Mobin, S. M., Lahiri, G. K. and Kaim, W.
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
CHEM-EUR J, Janvier 2009, 15, 6932-6939 [0947-6539] 10.1002/chem.200802655 more...
Romain, S., Baffert, C., Duboc, C., Lepretre, J. C., Deronzier, A. and Collomb, M. N.
Mononuclear Mn-III and Mn-IV Bis-terpyridine Complexes: Electrochemical Formation and Spectroscopic Characterizations
INORG CHEM, Janvier 2009, 48, 3125-3131 [0020-1669] 10.1021/ic8024342 more...
Tzima, T. D., Sioros, G., Duboc, C., Kovala-Demertzi, D., Melissas, V. S. and Sanakis, Y.
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
POLYHEDRON, Janvier 2009, 28, 3257-3264 [0277-5387] 10.1016/j.poly.2009.07.004 more...
Duboc, C. and Collomb, M. N.
Multifrequency high-field EPR investigation of a mononuclear manganese(IV) complex
CHEM COMMUN, Janvier 2009, , 2715-2717 [1359-7345] 10.1039/b901185d more...
Frantz, S., Sieger, M., Hartenbach, I., Lissner, F., Schleid, T., Fiedler, J., Duboc, C. and Kaim, W.
Structure, electrochemistry, spectroscopy, and magnetic resonance, including high-field EPR, of {(mu-abpy) Re(CO)(3)X (2)}(circle/center dot-), where abpy=2,2 -azobispyridine and X = F, Cl, Br, I
J ORGANOMET CHEM, Janvier 2009, 694, 1122-1133 [0022-328X] 10.1016/j.jorganchem.2008.09.034 more...
Baffert, C., Orio, M., Pantazis, D. A., Duboc, C., Blackman, A. G., Blondin, G., Neese, F., Deronzier, A. and Collomb, M. N.
Trinuclear Terpyridine Frustrated Spin System with a (Mn3O4)-O-IV Core: Synthesis, Physical Characterization, and Quantum Chemical, Modeling of Its Magnetic Properties
INORG CHEM, Janvier 2009, 48, 10281-10288 [0020-1669] 10.1021/ic901409y more...

Publications 2008

Roy, S., Sieger, M., Singh, P., Niemeyer, M., Fiedler, J., Duboc, C. and Kaim, W.
A radical-bridged bis(ferrocenylcopper(I)) complex: Structural identity, multifrequency EPR, and spectroelectrochemistry
INORG CHIM ACTA, Janvier 2008, 361, 1699-1704 [0020-1693] 10.1016/j.ica.2007.02.006 more...
Zein, S., Duboc, C., Lubitz, W. and Neese, F.
A systematic density functional study of the zero-field splitting in Mn(II) coordination compounds
INORG CHEM, Janvier 2008, 47, 134-142 [0020-1669] 10.1021/ic701293n more...
Maity, A. N., Sarkar, B., Niemeyer, M., Sieger, M., Duboc, C., Zalis, S. and Kaim, W.
A tetranuclear organorhenium(I) complex of the 2,3,5,6-tetrafluoro-7,7,8,8-tetracyano-p-quinodimethane radical anion, TCNQF4(center dot-)
DALTON T, Janvier 2008, , 5749-5753 [1477-9226] 10.1039/b807977c more...
Pordea, A., Creus, M., Panek, J., Duboc, C., Mathis, D., Novic, M. and Ward, T. R.
Artificial metalloenzyme for enantioselective sulfoxidation based on vanadyl-loaded streptavidin
J AM CHEM SOC, Janvier 2008, 130, 8085-8088 [0002-7863] 10.1021/ja8017219 more...
Duboc, C., Collomb, M. N., Pecaut, J., Deronzier, A. and Neese, F.
Definition of magneto-structural correlations for the Mn-II ion
CHEM-EUR J, Janvier 2008, 14, 6498-6509 [0947-6539] 10.1002/chem.200800426 more...
Lafolet, F., Chardon-Noblat, S., Duboc, C., Deronzier, A., Pruchnik, F. P. and Rak, M.
Electrochemical fabrication and characterization of thin films of redox-active molecular wires based on extended Rh-Rh bonded chains
DALTON T, Janvier 2008, , 2149-2156 [1477-9226] 10.1039/b718123j more...
Sarkar, B., Frantz, S., Roy, S., Sieger, M., Duboc, C., Denninger, G., Kummerer, H. J. and Kaim, W.
High-frequency EPR and structural data as complementary information on stable radical complexes containing the semi-reduced azo function
J MOL STRUCT, Janvier 2008, 890, 133-138 [0022-2860] 10.1016/j.molstruc.2008.04.048 more...
Hureau, C., Groni, S., Guillot, R., Blondin, G., Duboc, C. and Anxolabehere-Mallart, E.
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
INORG CHEM, Janvier 2008, 47, 9238-9247 [0020-1669] 10.1021/ic800551u more...

Publications 2007

Koval, I. A., Akhideno, H., Tanase, S., Belle, C., Duboc, C., Saint-Aman, E., Gamez, P., Tooke, D. M., Spek, A. L., Pierre, J. L. and Reedijk, J.
Changes in magnetic properties from solid state to solution in a trinuclear linear copper(II) complex
NEW J CHEM, Janvier 2007, 31, 512-518 [1144-0546] 10.1039/b618154f more...
Duboc, C., Phoeung, T., Jouvenot, D., Blackman, A. G., McClintock, L. F., Pecaut, J., Deronzier, A. and Collomb, M. N.
High-field EPR investigation of a series of mononuclear Mn(II) complexes doped into Zn(II) hosts
POLYHEDRON, Janvier 2007, 26, 5243-5249 [0277-5387] 10.1016/j.poly.2007.07.030 more...
Duboc, C., Phoeung, T., Zein, S., Pecaut, J., Collomb, M. N. and Neese, F.
Origin of the zero-field splitting in mononuclear octahedral dihalide Mn-II complexes: An investigation by multifrequency high-field electron paramagnetic resonance and density functional theory
INORG CHEM, Janvier 2007, 46, 4905-4916 [0020-1669] 10.1021/ic062384l more...
Collomb, M. N., Mantel, C., Romain, S., Duboc, C., Lepretre, J. C., Pecaut, J. and Deronzier, A.
Redox-induced mu-acetato and mu-oxo core interconversions in dinuclear manganese tris(2-methylpyridyl)amine (tpa) complexes: Isolation and characterization of Mn-2(III)(mu-O)(mu-O2CCH3)(tpa)(2) (3+)
EUR J INORG CHEM, Janvier 2007, , 3179-3187 [1434-1948] 10.1002/ejic.200601089 more...
Singh, P., Fiedler, J., Zalis, S., Duboc, C., Niemeyer, M., Lissner, F., Schleid, T. and Kaim, W.
Spectroelectrochemistry and DFT analysis of a new {RuNO}(n) redox system with multifrequency EPR suggesting conformational isomerism in the {RuNO}(7) state
INORG CHEM, Janvier 2007, 46, 9254-9261 [0020-1669] 10.1021/ic701206a more...
Maity, A. N., Schwederski, B., Sarkar, B., Zalis, S., Fiedler, J., Kar, S., Lahiri, G. K., Duboc, C., Grunert, M., Gutlich, P. and Kaim, W.
Tetranuclear complexes of Fe(CO)(2)(C5H5) (+) with TCNX ligands (TCNX = TCNE, TCNQ, TCNB): Intramolecular electron transfer alternatives in compounds (mu(4)-TCNX) MLn (4)
INORG CHEM, Janvier 2007, 46, 7312-7320 [0020-1669] 10.1021/ic062253k more...
Pichon, C., Mialane, P., Riviere, E., Blain, G., Dolbecq, A., Marrot, J., Secheresse, F. and Duboc, C.
The highest D value for a Mn-II ion: Investigation of a Manganese(II) polyoxometalate complex by high-field electron paramagnetic resonance
INORG CHEM, Janvier 2007, 46, 7710-7712 [0020-1669] 10.1021/ic701193f more...