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Karine COSTUAS

Senior researcher at the French CNRS
107
Documents

Présentation

**COSTUAS Karine Address:** Theoretical Inorganic Chemistry Group *CNRS Senior Researcher* Institut des Sciences chimiques de Rennes karine.costuas@univ-rennes1.fr UMR 6226 CNRS - Université de Rennes 1 Avenue du Général Leclerc https://orcid.org/0000-0003-0338-0494 F-35042 Rennes Cedex, France ***Education*:** July 2009 Habilitation, University of Rennes 1 September 2000 Ph.D. in Chemistry, University of Rennes 1 June 1997 M. Sc. Chemistry (honors), University of Rennes 1 ***Professional*:** Oct. 2014 Promoted senior researcher at the CNRS January 2002 – present Researcher at the French “Centre National de la Recherche Scientifique” (CNRS), Institut des Sciences Chimiques de Rennes” (University of Rennes 1) July 2001 – Dec. 2001 Postdoctoral Fellow, ETH Zürich, (Switzerland) – Pr. Parrinello’s research group. Nov. 2000 – June 2001 Postdoctoral Fellow, Max-Planck Institute of Stuttgart, Stuttgart (Germany); Pr. Parrinello’s research group. ***Awards:*** 2006 Bronze Medal of the CNRS. 2000 Gineste Prize (annual award for the best chemistry Ph. D. thesis of the University of Rennes 1) ***Research Interests:*** Karine Costuas’ research centers on the understanding of the structural arrangement and the electronic structure of organometallic compounds using quantum mechanic calculations (Density Functional Theory). The physical properties of the studied systems are theoretically investigated in conjunction with experimental results. Her research topic concerns mainly mono- or poly-metallic complexes and lanthanide compounds that show (i) redox activity (mixed-valence, electronic communication) (ii) magnetic behavior (magnetic coupling) (iii) optical properties (electronic excitation, emission). She is also interested in the theoretical design of new multifunctional compounds for which specific physical properties are targeted. Recently, she has been working on the study of modified surfaces featuring adsorbed molecules and molecular junctions. *Member of the French Chemical Society 1996-2019; Treasurer of the Division of Coordination Chemistry 2006-2009; Scientific secretary of the regional office 2016-2019. Scientific manager of the French network ThéMoSiA ("Théories, Modélisations et Simulations atomistiques") since 2023* ***Publications, Patent and Scientific Communications:*** - Co-author of 97 papers published in international scientific journals (h-index 41) - 1 chapter of book (among which 3 Angew. Chem. - 11 J. Am. Chem. Soc. - 1 Material Horizons - 1 Chem. Sci. - 4 Chem. Commun. -1 ACS Appl. Mater. Interfaces - 5 Chem. - Eur. J. - 3 Inorg. Chem. Front. - 1 J. Phys. Chem. Lett. - 15 Inorg. Chem. -1 Nanoscale Adv.) - International patent: N. Gouault, K.-H. Nguyen, S. Tomasi, K. Costuas - PCT Int. Appl., oct. 2014, WO 2014167225 A1 - 11 invited lectures at international conferences; 7 in French conferences; 46 oral communications

Domaines de recherche

Chimie

Compétences

Optoelectronic, Molecular junction Inorganic, organometallics, coordination chemistry

Publications

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Phase dependence and mechanical and thermal ductility of the luminescence properties of tetranuclear Cu( i ) metallacycle assemblies stabilized by ditopic organo-pnictogen (P,As) ligands

Constance Lecourt , Raquel Utrera Melero , Jana Schiller , Florent Moutier , Vincent Dorcet
Inorganic Chemistry Frontiers, inPress, ⟨10.1039/D3QI01544K⟩
Article dans une revue hal-04280252v1
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Generation of Helical States - Breaking of Symmetries, Curie’s Principle, and Excited States

Julia Sabalot-Cuzzubbo , W Lafargue-Dit-Hauret , Michel Rérat , K Costuas , Didier Bégué
ChemPhysChem, 2023, pp.e202200951. ⟨10.1002/cphc.202200951⟩
Article dans une revue hal-04013850v2
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Electrophilic and nucleophilic gas phase reactivity of the Janus cluster-based anions [{Mo 6 Cl 8 }Cl 5 □] − (□ = lacuna)

Antoine Denis , Nina Tymínska , Thomas Delhaye , Yann Molard , Pascal Gerbaux
Chemical Communications, 2023, 59, pp.6243-6246. ⟨10.1039/D3CC01187A⟩
Article dans une revue hal-04087734v1
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Evaluation of tight-binding DFT performance for the description of organic photochromes properties

Corentin Poidevin , Gwenhaël Duplaix-Rata , Karine Costuas , Arnaud Fihey
Journal of Chemical Physics, 2023, 158 (7), pp.074303. ⟨10.1063/5.0133418⟩
Article dans une revue hal-04013814v1
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Electronic Structure and Magneto-Structural Correlations Study of Cu2UL Trinuclear Schiff Base Complexes: A 3d-5f-3d Case

Samir Meskaldji , Lotfi Belkhiri , Rémi Maurice , Karine Costuas , Boris Le Guennic
Journal of Physical Chemistry A, 2023, 127 (6), pp.1475-1490. ⟨10.1021/acs.jpca.2c08755⟩
Article dans une revue hal-04011284v1
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Impact of intermolecular non-covalent interactions in a CuI8PdII1 discrete assembly: conformers’ geometries and stimuli-sensitive luminescence properties

Florent Moutier , Jana Schiller , Constance Lecourt , Ali Moustafa Khalil , Vincent Delmas
Chemistry - A European Journal, 2022, 28 (24), pp.e202104497. ⟨10.1002/chem.202104497⟩
Article dans une revue hal-03594157v1
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Electronic transport through single-molecule oligophenyl-diethynyl junctions with direct gold-carbon bonds formed at low temperature

Gautam Mitra , Vincent Delmas , Hassan Al Sabea , Lucie Norel , Olivier Galangau
Nanoscale Advances, 2022, ⟨10.1039/d1na00650a⟩
Article dans une revue hal-03512454v1
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Nanoarchitectonics of Glass Coatings for Near-Infrared Shielding: From Solid-State Cluster-Based Niobium Chlorides to the Shaping of Nanocomposite Films

Clément Lebastard , Maxence Wilmet , Stéphane Cordier , C. Comby-Zerbino , Luke Macaleese
ACS Applied Materials & Interfaces, 2022, 14 (18), pp.21116-21130. ⟨10.1021/acsami.2c00308⟩
Article dans une revue hal-03681057v1
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How the Ancillary Ligand X Drives the Redox Properties of Biscyclopentadienyl Pentavalent Uranium Cp(2)U(═N-Ar)X Complexes

Khadidja Talha Yassia , Lotfi Belkhiri , Karine Costuas , Abdou Boucekkine
Inorganic Chemistry, 2021, 60 (4), pp.2203-2218. ⟨10.1021/acs.inorgchem.0c02908⟩
Article dans une revue hal-03128560v1
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Coordination-driven supramolecular syntheses of new homo- and hetero-polymetallic Cu( i ) assemblies: solid-state and solution characterization

Ali Moustafa Khalil , Chendong Xu , Vincent Delmas , Guillaume Calvez , Karine Costuas
Inorganic Chemistry Frontiers, 2021, 8 (22), pp.4887-4895. ⟨10.1039/D1QI00937K⟩
Article dans une revue hal-03366661v1
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Revisiting Properties of Edge-Bridged Bromide Tantalum Clusters in the Solid-State, in Solution and vice-versa: An Intertwined Experimental and Modelling Approach

Maxence Wilmet , Clément Lebastard , Flavien Sciortino , Clothilde Zerbino , Luke Macaleese
Dalton Transactions, 2021, 50 (23), pp.8002-8016. ⟨10.1039/D0DT04200E⟩
Article dans une revue hal-03208710v1
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Intramolecular rearrangements guided by adaptive coordination-driven reactions toward highly luminescent polynuclear Cu(i) assemblies

M. El Sayed Moussa , A.M. Khalil , S. Evariste , H.-L. Wong , V. Delmas
Inorganic Chemistry Frontiers, 2020, 7 (6), pp.1334-1344. ⟨10.1039/c9qi01595g⟩
Article dans une revue hal-02536595v1
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Luminescent vapochromic single crystal to single crystal transition in one-dimensional coordination polymer featuring the first Cu(i) dimer bridged by an aqua ligand

Sloane Evariste , Ali Moustafa Khalil , Sebastien Kerneis , Chendong Xu , Guillaume Calvez
Inorganic Chemistry Frontiers, 2020, 7 (18), pp.3402-3411. ⟨10.1039/d0qi00691b⟩
Article dans une revue hal-02957759v1
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On the reliability of acquiring molecular junction parameters by Lorentzian fitting of I/V curves

Vincent Delmas , Valentin Diez-Cabanes , Colin van Dyck , Elke Scheer , Karine Costuas
Physical Chemistry Chemical Physics, 2020, 22 (46), pp.26702-26706. ⟨10.1039/d0cp05372d⟩
Article dans une revue hal-03037926v1
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Probing the local magnetic structure of the [FeIII(Tp)(CN)3]- Building block via solid-state NMR spectroscopy, polarized neutron diffraction, and first-principle calculations

Siddhartha De , Alexandrine Flambard , Delphine Garnier , Patrick Herson , Frank H Köhler
Chemistry - A European Journal, 2019, 25 (52), pp.12120-12136. ⟨10.1002/chem.201902239⟩
Article dans une revue hal-02280844v1
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Red-NIR luminescence of Mo 6 monolayered assembly directly anchored on Au(001)

Mikael Kepenekian , Yann Molard , Karine Costuas , Pierric Lemoine , Régis Gautier
Materials Horizons, 2019, 6 (9), pp.1828-1833. ⟨10.1039/c9mh00724e⟩
Article dans une revue hal-02332145v1
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Lanthanide-Based Coordination Polymers with a 4,5-Dichlorophthalate Ligand Exhibiting Highly Tunable Luminescence Toward Luminescent Bar Codes

Albert-Manga Badiane , Stéphane Freslon , Carole Daiguebonne , Yan Suffren , Kevin Bernot
Inorganic Chemistry, 2018, 57 (6), pp.3399-3410. ⟨10.1021/acs.inorgchem.8b00169⟩
Article dans une revue hal-01744287v1
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HOMO Level Pinning in Molecular Junctions Joint Theoretical and Experimental Evidence

S. Rodriguez-Gonzalez , Z. Xie , Olivier Galangau , P. Selvanathan , L. Norel
Journal of Physical Chemistry Letters, 2018, 9 (9), pp.2394-2403. ⟨10.1021/acs.jpclett.8b00575⟩
Article dans une revue hal-01807082v1
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Adaptive Coordination-Driven Supramolecular Syntheses toward New Polymetallic Cu(I) Luminescent Assemblies

Sloane Evariste , Ali Moustafa Khalil , Mehdi Elsayed Moussa , Alan Kwun-Wa Chan , Eugene Yau-Hin Hong
Journal of the American Chemical Society, 2018, 140 (39), pp.12521-12526. ⟨10.1021/jacs.8b06901⟩
Article dans une revue hal-01862466v1
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Stabilization of Ni2+ dimers in hexacyano Mo6 cluster-based Prussian blue derivatives: Experimental and theoretical investigations of magnetic properties

G. Daigre , K. Costuas , M.S. Tarasenko , A.Y. Ledneva , N.G. Naumov
Dalton Transactions, 2018, 47 (4), pp.1122-1130. ⟨10.1039/c7dt02748f⟩
Article dans une revue hal-01713505v1
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Ruthenium Carbon-Rich Group as a Redox-Switchable Metal Coupling Unit in Linear Trinuclear Complexes

E. Di Piazza , C. Boilleau , A. Vacher , K. Merahi , L. Norel
Inorganic Chemistry, 2017, 56 (23), pp.14540-14555. ⟨10.1021/acs.inorgchem.7b02288⟩
Article dans une revue hal-01671622v1
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Mo-6 cluster-based compounds for energy conversion applications: comparative study of photoluminescence and cathodoluminescence

Benjamin Dierre , Karine Costuas , Noee Dumait , Serge Paofai , Maria Amela-Cortes
Science and Technology of Advanced Materials, 2017, 18 (1), pp.458--466. ⟨10.1080/14686996.2017.1338496⟩
Article dans une revue hal-01578524v1
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Reductive Coupling of Diynes at Rhodium Gives Fluorescent Rhodacyclopentadienes or Phosphorescent Rhodium 2,2'-Biphenyl Complexes

Carolin Sieck , Meng Guan Tay , Marie-Helene Thibault , Robert M. Edkins , Karine Costuas
Chemistry - A European Journal, 2016, 22 (30), pp.10523-10532. ⟨10.1002/chem.201601912⟩
Article dans une revue hal-01395463v1

Innenrücktitelbild: Polarized Neutron Diffraction to Probe Local Magnetic Anisotropy of a Low-Spin Fe(III) Complex (Angew. Chem. 12/2016)

Karl Ridier , Abhishake Mondal , Corentin Boilleau , Olivier Cador , Béatrice Gillon
Angewandte Chemie, 2016, 128 (12), pp.4171--4171. ⟨10.1002/ange.201601870⟩
Article dans une revue hal-01295511v1
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Polarized Neutron Diffraction to Probe Local Magnetic Anisotropy of a Low-Spin Fe(III) Complex

Karl Ridier , Abhishake Mondal , Corentin Boilleau , Olivier Cador , Béatrice Gillon
Angewandte Chemie International Edition, 2016, 55 (12), pp.3963-3967. ⟨10.1002/anie.201511354⟩
Article dans une revue hal-01279121v1

A solid state highly emissive Cu(i) metallacycle: promotion of cuprophilic interactions at the excited states

M. El Sayed Moussa , S. Evariste , H.-L. Wong , L. Le Bras , Claire Roiland
Chemical Communications, 2016, 52 (76), pp.11370-11373. ⟨10.1039/C6CC06613E⟩
Article dans une revue hal-01367375v1

Electronic Structure and Magnetic Properties of Dioxo-Bridged Diuranium Complexes with Diamond-Core Structural Motifs: A Relativistic DFT Study

Billel Teyar , Lotfi Belkhiri , Karine Costuas , Abdou Boucekkine , Karsten Meyer
Inorganic Chemistry, 2016, 55 (6), pp.2870-2881. ⟨10.1021/acs.inorgchem.5b02704⟩
Article dans une revue hal-01282458v1

Characterization and Luminescence Properties of Lanthanide-Based Polynuclear Complexes Nanoaggregates

Francois Le Natur , Guillaume Calvez , Jean-Paul Guégan , Laurent Le Polles , Xavier Trivelli
Inorganic Chemistry, 2015, 54 (12), pp.6043-6054. ⟨10.1021/acs.inorgchem.5b00947⟩
Article dans une revue hal-01162339v1

Molecular switches in carbon-rich organometallic compounds: Theoretical aspects.

Karine Costuas
AIP Conference Proceedings, 2015, 1642, pp.461--464. ⟨10.1063/1.4906720⟩
Article dans une revue hal-01153421v1

Electronic structure of modelized vs. real carbon-chain containing organometallic dinuclear complexes: similarities and differences

Abdelkader Ladjarafi , Karine Costuas , Hacène Meghezzi , Jean-François Halet
Journal of Molecular Modeling, 2015, 21 (4), pp.71. ⟨10.1007/s00894-015-2623-3⟩
Article dans une revue hal-01143236v1

Combined theoretical and time-resolved photoluminescence investigations of [Mo6Bri8Bra6]2− metal cluster units: evidence of dual emission

K. Costuas , A. Garreau , Alain Bulou , B. Fontaine , Jérôme Cuny
Physical Chemistry Chemical Physics, 2015, 17 (43), pp.28574-28585. ⟨10.1039/C5CP03960F⟩
Article dans une revue hal-01222623v1

Fe(dppe)(η5-C5Me5)-Based Phenylalkynyl Complexes Featuring an NO2 End Group: A Theoretical Analysis

Hiba Sahnoune , Nicolas Gauthier , Katy Green , Karine Costuas , Frédéric Paul
Australian Journal of Chemistry, 2015, 68 (9), pp.1352--1358. ⟨10.1071/CH15136⟩
Article dans une revue hal-01198731v1

Hexatriynediyl Chain Spanning Two Cp*(dppe)​M Termini (M = Fe, Ru)​: Evidence for the Dependence of Electronic and Magnetic Couplings on the Relative Orientation of the Termini

Alexandre Burgun , Frederic Gendron , Christopher J.Sumby , Thierry Roisnel , Olivier Cador
Organometallics, 2014, 33 (10), pp.2613-2627. ⟨10.1021/om500328y⟩
Article dans une revue hal-01016852v1

Diarylethene-Containing Carbon-Rich Ruthenium Organometallics: Tuning of Electrochromism

Yifei Liu , Cheikh Mbacké Ndiaye , Corinne Lagrost , Karine Costuas , Sylvie Choua
Inorganic Chemistry, 2014, 53 (15), pp.8172-8188. ⟨10.1021/ic5013044⟩
Article dans une revue hal-01092872v1

Fluorescence in Rhoda- and Iridacyclopentadienes Neglecting the Spin-Orbit Coupling of the Heavy Atom: The Ligand Dominates

Andreas Steffen , Karine Costuas , Abdou Boucekkine , Marie-Helene Thibault , Andrew Beeby
Inorganic Chemistry, 2014, 53 (13), pp.7055-7069. ⟨10.1021/ic501115k⟩
Article dans une revue hal-02142259v1

Redox Modulation of Magnetic Slow Relaxation in a 4f-​Based Single-​Molecule Magnet with a 4d Carbon-​Rich Ligand

Lucie Norel , Min Feng , Kevin Bernot , Thierry Roisnel , Thierry Guizouarn
Inorganic Chemistry, 2014, 53 (5), pp.2361-2363. ⟨10.1021/ic403081y⟩
Article dans une revue hal-00973431v1

Straightforward Access to Tetrametallic Complexes with a Square Array by Oxidative Dimerization of Organometallic Wires

Alexandre Burgun , Frédéric Gendron , Phil A. Schauer , Brian W. Skelton , Paul J. Low
Organometallics, 2013, 32 (18), pp.5015-5025. ⟨10.1021/om4003768⟩
Article dans une revue hal-00839872v1

Oxidative Activation of Aryldiynyl-Iron Complexes: Regio-Selective Dimerization

Alexandre Burgun , Frédéric Gendron , Thierry Roisnel , S. Sinbandhit , Karine Costuas
Organometallics, 2013, 32 (6), pp.1866−1875. ⟨10.1021/om400014g⟩
Article dans une revue hal-00840059v1

Syntheses and Structural Studies of Several Group 8 Metal Complexes Derived from 1, 3-Butadiyne

Michael I. Bruce , Marcus L. Cole , Karine Costuas , Benjamin G. Ellis , Kathy A. Kramarczuk
Journal of Inorganic and General Chemistry / Zeitschrift für anorganische und allgemeine Chemie, 2013, 639 (12-13), pp.2216-2223. ⟨10.1002/zaac.201300282⟩
Article dans une revue hal-00875518v1

Revelation of the photoactive species in the photocatalytic dimerization of - méthylstyrene by a dinuclear ruthenium-palladium complex

Kei Murata , Akiko Inagaki , Munetaka Akita , Jean-François Halet , Karine Costuas
Inorganic Chemistry, 2013, 52 (14), pp.80-0-8039. ⟨10.1021/ic400666v⟩
Article dans une revue hal-00874185v1

Hybrid molecular systems containing tetrathiafulvalene and iron-alkynyl electrophores : five-component functional molecules obtained from C-H bond activation.

Frederic Justaud , Frédéric Gendron , Yoshiyuki Ogyu , Yuki Kumamoto , Akira Miyazaki
Chemistry - A European Journal, 2013, 19 (18), pp.5742-57. ⟨10.1002/chem.201204227⟩
Article dans une revue hal-00822744v1

Synthesis and Characterization of Redox-Active Mononuclear Fe(κ2-dppe)(η5-C5Me5)-Terminated π-Conjugated Wires

Katy Green , Nicolas Gauthier , Hiba Sahnoune , Gilles Argouarch , Loïc Toupet
Organometallics, 2013, 32 (15), pp.4366-4381. ⟨10.1021/om400515g⟩
Article dans une revue hal-00874153v1
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Photo-modulable Molecular Transport Junctions based on Organometallic Molecular Wires

Fanben Meng , Yves-Marie Hervault , Lucie Norel , Karine Costuas , Colin van Dyck
Chemical Science, 2012, 3 (10), pp.3113-3118. ⟨10.1039/C2SC20323E⟩
Article dans une revue hal-00753710v1

Probing Charge-Transfer Excited States in a Quasi-Nonluminescent Electron-Rich Fe(II)-Acetylide Complex by Femtosecond Optical Spectroscopy

Ciro d'Amico , Maciej Lorenc , Eric Collet , Katy A. Green , Karine Costuas
Journal of Physical Chemistry C, 2012, 116 (5), pp.3719-3727. ⟨10.1021/jp208522w⟩
Article dans une revue hal-00753756v1

Oxidative Dimerisation of Aryldiynyl-ruthenium Complexes

Michael I. Bruce , Karine Costuas , Frédéric Gendron , Jean-François Halet , Martyn Jevric
Organometallics, 2012, 31 (18), pp.6555-6566. ⟨10.1021/om3005146⟩
Article dans une revue hal-00753699v1

Iron and Ruthenium σ-Poly-ynyls of General Formula [{M(dppe)Cp*}-(C≡C)n-R]0/+(M = Fe, Ru); An Experimental and Theoretical Investigation

Frédéric Gendron , Alexandre Burgun , B. W. Skelton , A. H. White , Thierry Roisnel
Organometallics, 2012, 31 ((19)), pp.6796-6811. ⟨10.1021/om300584u⟩
Article dans une revue hal-00753601v1

New thiocyanato and azido adducts of the redox-active Fe(η5-C5Me5)(η2-dppe) center: Synthesis and study of the Fe(II) and Fe(III) complexes

Floriane Malvolti , Alexander Trujillo , Olivier Cador , Frédéric Gendron , Karine Costuas
Inorganica Chimica Acta, 2011, 374 (1), pp.288-301. ⟨10.1016/j.ica.2011.03.002⟩
Article dans une revue hal-00824161v1

Spectroscopic Evidence for Redox Isomerism in the 1,4-Diethynylbenzene-Bridged Heterobimetallic Cation [{Fe(dppe)Cp*}(μ-C≡CC6H4C≡C){Mo(dppe)(η-C7H7)}]PF6

Emma C. Fitzgerald , Abdelkader Ladjarafi , Neil J. Brown , David Collison , Karine Costuas
Organometallics, 2011, 30 (15), pp.4180-4195. ⟨10.1021/om200488b⟩
Article dans une revue hal-00738751v1

d-f heterobimetallic association between ytterbium and ruthenium carbon-rich complexes: redox commutation of near-IR luminescence.

Emmanuel Di Piazza , Lucie Norel , Karine Costuas , Adrien Bourdolle , Olivier Maury
Journal of the American Chemical Society, 2011, 133 (16), pp.6174-6. ⟨10.1021/ja2023515⟩
Article dans une revue hal-00860780v1

Electron-rich iron/ruthenium arylalkynyl complexes for third-order nonlinear optics: redox-switching between three states.

Nicolas Gauthier , Gilles Argouarch , Frédéric Paul , Loïc Toupet , Abdelkader Ladjarafi
Chemistry - A European Journal, 2011, 17 (20), pp.5561-77. ⟨10.1002/chem.201003427⟩
Article dans une revue hal-00860501v1

3,5-Bis(ethynyl)pyridine and 2,6-bis(ethynyl)pyridine spanning two Fe(Cp*)(dppe) units: role of the nitrogen atom on the electronic and magnetic couplings.

Karine Costuas , Olivier Cador , Frédéric Justaud , Sylvie Le Stang , Frédéric Paul
Inorganic Chemistry, 2011, 50 (24), pp.12601-22. ⟨10.1021/ic2016148⟩
Article dans une revue hal-00859922v1
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Polynuclear carbon-rich organometallic complexes: clarification of the role of the bridging ligand in the redox properties.

Karine Costuas , Stéphane Rigaut
Dalton Transactions, 2011, 40 (21), pp.5643-58. ⟨10.1039/c0dt01388a⟩
Article dans une revue hal-00860419v1

"Chain-like" trimetallic ruthenium complexes with C7 carbon-rich bridges: experimental and theoretical investigations of electronic communication tuning in five distinct oxidation states.

Céline Olivier , Karine Costuas , Sylvie Choua , Vincent Maurel , Philippe Turek
Journal of the American Chemical Society, 2010, 132 (16), pp.5638-51. ⟨10.1021/ja908948g⟩
Article dans une revue hal-00860803v1

Exploiting Non-Innocent Ligands to Prepare Masked Palladium(0) Complexes

Dan A. Smith , Andrei S. Batsanov , Karine Costuas , Ruth Edge , David C. Apperley
Angewandte Chemie International Edition, 2010, 49 (39), pp.7040-7044. ⟨10.1002/anie.201003946⟩
Article dans une revue hal-00860851v1

Spin Distribution in Electron-Rich Piano-Stool Iron(III) Pyridylalkynyl Radical Cations Containing [(eta(2)-dppe)(eta(5)-C5Me5)FeC C](+) End Groups.

Frédéric Paul , Floriane Malvolti , Grégory da Costa , Sylvie Le Stang , Frederic Justaud
Organometallics, 2010, 29 (11), pp.2491-2502. ⟨10.1021/om100173x⟩
Article dans une revue hal-00496187v1

Topological dependence of the magnetic exchange coupling in arylethynyl-bridged organometallic diradicals containing [(eta(2)-dppe)(eta(5)-C(5)Me(5))Fe(III)](+) fragments.

Frédéric Paul , Arnaud Bondon , Grégory da Costa , Floriane Malvolti , Sourisak Sinbandhit
Inorganic Chemistry, 2009, 48 (22), pp.10608-24. ⟨10.1021/ic9011026⟩
Article dans une revue inserm-00713255v1

Bonding and Electron Delocalization in Ruthenium(III) σ-Arylacetylide Radicals [trans-Cl(η2-dppe)2RuC≡C(4-C6H4X)]+ (X = NO2, C(O)H, C(O)Me, F, H, OMe, NMe2): Misleading Aspects of the ESR Anisotropy

Nicolas Gauthier , Noureddine Tchouar , Frederic Justaud , Gilles Argouarch , Marie P. Cifuentes
Organometallics, 2009, 28 (7), pp.2253-2266. ⟨10.1021/om801138q⟩
Article dans une revue hal-00442450v1

A multifunctional organometallic switch with carbon-rich ruthenium and diarylethene units

Yifei Liu , C. Lagrost , K. Costuas , N. Tchouar , Hubert Le Bozec
Chemical Communications, 2008, pp.6117-6119
Article dans une revue hal-00355532v1

On the sensitivity of f electrons to their chemical environment.

Eric Furet , Karine Costuas , Philippe Rabiller , Olivier Maury
Journal of the American Chemical Society, 2008, 130 (7), pp.2180-3. ⟨10.1021/ja073224r⟩
Article dans une revue hal-00725173v1

Synthesis, photophysics, and crystal and molecular structures of luminescent 2,5-bis(p-R-phenylethynyl)thiophenes and 2,5-bis(pentafluorophenylethynyl)thiophene

J. S. Siddle , R. M. Ward , J. C. Collings , S. R. Rutter , L. Porrès
N. J. Chem., 2007, 31, pp.841-851
Article dans une revue hal-00354928v1

Spin Delocalization in Electron-Rich Iron(III) Piano-Stool -Acetylides. An Experimental (NMR) and Theoretical (DFT) Investigation

Frédéric Paul , Grégory da Costa , Arnaud Bondon , Nicolas Gauthier , Sourisak Sinbandhit
Organometallics, 2007, 26 (4), pp.874 -896. ⟨10.1021/om060989j⟩
Article dans une revue hal-00135001v1
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Syntheses, structures and redox properties of some complexes containing the Os(dppe)Cp* fragment, including [{Os(dppe)Cp*}2(μ-C[triple bond, length as m-dash]CC[triple bond, length as m-dash]C)]

Michael I. Bruce , Karine Costuas , Thomas Davin , Jean-François Halet , Kathy A. Kramarczuk
Dalton Transactions, 2007, 46, pp.5387-5399. ⟨10.1039/B712104K⟩
Article dans une revue hal-00862396v1

Redox-Active Complexes Containing Group 8 Metal Centers Linked by C2 Bridges

Michael I. Bruce , Karine Costuas , Ben G. Ellis , Jean-François Halet , Paul J. Low
Organometallics, 2007, 26 (15), pp.3735-3745. ⟨10.1021/om7002859⟩
Article dans une revue hal-00354910v1
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Synthesis, photophysics and molecular structures of luminescent 2,5-bis(phenylethynyl)thiophenes (BPETs)

Jamie S. Siddle , Richard M. Ward , Jonathan C. Collings , Simon R. Rutter , Laurent Porrès
New Journal of Chemistry, 2007, 31 (6), pp.841-851. ⟨10.1039/B701172E⟩
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Metallaborane reactivity. A stoichiometric mechanism for the insertion of two alkynes into an iridaborane framework via a disposable molybdenum chaperone.

Frédéric de Montigny , Ramón Macias , Bruce C. Noll , Thomas P. Fehlner , Karine Costuas
Journal of the American Chemical Society, 2007, 129 (11), pp.3392-401. ⟨10.1021/ja068999z⟩
Article dans une revue hal-00354919v1

Syntheses, structures and redox properties of some complexes containing the Os(dppe)Cp* fragment, including {Os(dppe)Cp*}2(m-CºCCºC)

M. I. Bruce , K. Costuas , T. Davin , Jean-François Halet , K. A. Kramarczuk
Dalton Transactions, 2007, pp.5387-5399
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Photoisomerizable Bipyridine Ligands and Macroligands: Absorption, Photoisomerization Properties and Theoretical Study

Lydie Viau , Itamar Malkowsky , Karine Costuas , Stéphanie Boulin , Loic Toupet
ChemPhysChem, 2006, 7 (3), pp.644 - 657. ⟨10.1002/cphc.200500473⟩
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Iodine Substituted Tetrathiafulvalene Radical Cation Salts with [M(isoq)2(NCS)4]- Anions where M = CrIII, GaIII: Role of I***S and S***S Contacts on Structural and Magnetic Properties

Katel Hervé , Olivier Cador , Stéphane Golhen , Karine Costuas , Jean-François Halet
Chemistry of Materials, 2006, 18 (3), pp.790-797. ⟨10.1021/cm052199q⟩
Article dans une revue hal-00863192v1

C7 and C9 carbon-rich bridges in diruthenium systems: synthesis, spectroscopic, and theoretical investigations of different oxidation States.

Stéphane Rigaut , Céline Olivier , Karine Costuas , Sylvie Choua , Omrane Fadhel
Journal of the American Chemical Society, 2006, 128 (17), pp.5859-76. ⟨10.1021/ja0603453⟩
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The versatility of pentalene coordination to transition metals: a density functional theory investigation.

Saïda Bendjaballah , Samia Kahlal , Karine Costuas , Emile Bévillon , Jean-Yves Saillard
Chemistry - A European Journal, 2006, 12 (7), pp.2048-65. ⟨10.1002/chem.200500765⟩
Article dans une revue hal-00862767v1

Bonding and Substituent Effects in Electron-Rich Mononuclear Ruthenium σ-Arylacetylides of the Formula [(η2-dppe)(η5-C5Me5)Ru(CC)-1,4-(C6H4)X][PF6]n (n = 0, 1; X = NO2, CN, F, H, OMe, NH2)

Frédéric Paul , Benjamin G. Ellis , Michael I. Bruce , Loic Toupet , Thierry Roisnel
Organometallics, 2006, 25 (3), pp.649-665. ⟨10.1021/om050799t⟩
Article dans une revue hal-00862733v1

A Favorable Case Where an Experimental Electron Density Analysis Offers a Lead for Understanding a Specific Fluxional Process Observed in Solution

Yannick Ortin , Noël Lugan , Sébastien Pillet , Mohammed Souhassou , Claude Lecomte
Inorganic Chemistry, 2005, 44 (26), pp.9607-9609. ⟨10.1021/ic051239p⟩
Article dans une revue hal-03052957v1

Electronic interactions in bridged bis(cluster) assemblies – a comparison of para-CB10H10C, para-C6H4 and C4 bridges

Boris Le Guennic , Karine Costuas , Jean-François Halet , C. Nervi , Michael A.J. Paterson
Comptes Rendus. Chimie, 2005, 8 (11-12), pp.1883-1896. ⟨10.1016/j.crci.2005.03.016⟩
Article dans une revue hal-03052949v1

Theoretical aspects of the bonding in acetylide-bridged organometallic dinuclear complexes

Nadia Ouddaï , Karine Costuas , Mustafa Bencharif , Jean-Yves Saillard , Jean-François Halet
Comptes Rendus. Chimie, 2005, 8 (8), pp.1336-1350. ⟨10.1016/j.crci.2005.02.022⟩
Article dans une revue hal-03052946v1

Electron-Rich Piano-Stool Iron σ-Acetylides. Electronic Structures of Arylalkynyl Iron(III) Radical Cations †

Frédéric Paul , Loic Toupet , Jean-Yves Thépot , Karine Costuas , Jean-François Halet
Organometallics, 2005, 24 (22), pp.5464-5478. ⟨10.1021/om0505108⟩
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Where an experimental electron density analysis is seen to help in a better understanding of a specific dynamic process in solution

Y. Ortin , Noël Lugan , S. Pillet , M. Souhassou , C. Lecomte
Inorganic Chemistry, 2005, 44, pp.9607-9609. ⟨10.1021/ic051239p⟩
Article dans une revue hal-00021288v1

Electron Transfer and Electron Exchange between [Cp*(dppe)Fe] n + ( n = 0, 1) Building Blocks Mediated by the 9,10-Bis(ethynyl)anthracene Bridge

Frédéric de Montigny , Gilles Argouarch , Karine Costuas , Jean-François Halet , Thierry Roisnel
Organometallics, 2005, 24 (19), pp.4558-4572. ⟨10.1021/om050403d⟩
Article dans une revue hal-03052953v1

Iron versus Ruthenium: Dramatic Changes in Electronic Structure Result from Replacement of One Fe by Ru in [{Cp*(dppe)Fe}-CC-CC-{Fe(dppe)Cp*}] n + ( n = 0, 1, 2)

Michael Bruce , Karine Costuas , Thomas Davin , Benjamin Ellis , Jean-François Halet
Organometallics, 2005, 24 (16), pp.3864-3881. ⟨10.1021/om050293a⟩
Article dans une revue hal-03052947v1

Bridging Phosphanes: Exotic or Versatile Binucleating Ligands?

François Leca , Christophe Lescop , Elena Rodriguez-Sanz , Karine Costuas , Jean-François Halet
Angewandte Chemie International Edition, 2005, 44 (28), pp.4362-4365. ⟨10.1002/anie.200500529⟩
Article dans une revue hal-03052955v1

Electron-Rich Piano-Stool Iron σ-Acetylides. † Theoretical and Phenomenological Investigation of Electronic Substituent Effects in Iron(II) Acetylides

Karine Costuas , Frédéric Paul , Loic Toupet , Jean-François Halet , Claude Lapinte
Organometallics, 2004, 23 (9), pp.2053-2068. ⟨10.1021/om030630k⟩
Article dans une revue hal-03052945v1

Some ruthenium complexes containing cyanocarbon ligands: syntheses, structures and extent of electronic communication in binuclear systems

Michael Bruce , Mark Buntine , Karine Costuas , Benjamin Ellis , Jean-François Halet
Journal of Organometallic Chemistry, 2004, 689 (21), pp.3308-3326. ⟨10.1016/j.jorganchem.2004.07.030⟩
Article dans une revue hal-03052941v1

Luminescent Heterometallic Branched Alkynyl Complexes of Rhenium(I)−Palladium(II): Potential Building Blocks for Heterometallic Metallodendrimers

Samuel Hung-Fai Chong , Sally Chan-Fung Lam , Vivian Wing-Wah Yam , Nianyong Zhu , Kung-Kai Cheung
Organometallics, 2004, 23 (21), pp.4924-4933. ⟨10.1021/om049696l⟩
Article dans une revue hal-03052942v1

Bis-allenylidene metal complex and unique related radical with delocalization of one electron over both trans carbon-rich chains

Stéphane Rigaut , K Costuas , D Touchard , Jy Saillard , S Golhen
Journal of the American Chemical Society, 2004, 126 (13), pp.4072--4073. ⟨10.1021/ja049631+⟩
Article dans une revue hal-01475055v1

Bonding and Electronic Structure in Consanguineous and Conjugal Iron and Rhenium sp Carbon Chain Complexes [MC 4 M‘] n + : Computational Analyses of the Effect of the Metal

Haijun Jiao , Karine Costuas , John Gladysz , Jean-François Halet , Maud Guillemot
Journal of the American Chemical Society, 2003, 125 (31), pp.9511-9522. ⟨10.1021/ja034619n⟩
Article dans une revue hal-03052940v1

Chemistry of the 1,3,5,7-octatetraynediyl carbon rod end-capped by two electron-rich (η5-C5Me5)(η2-dppe)Fe groups

Françoise Coat , Frédéric Paul , Claude Lapinte , Loic Toupet , Karine Costuas
Journal of Organometallic Chemistry, 2003, 683 (2), pp.368-378. ⟨10.1016/S0022-328X(03)00709-5⟩
Article dans une revue hal-03052938v1

Electroswitchable Photoluminescence Activity: Synthesis, Spectroscopy, Electrochemistry, Photophysics, and X-ray Crystal and Electronic Structures of [Re(bpy)(CO) 3 (C⋮CC 6 H 4 C⋮C)Fe(C 5 Me 5 )(dppe)][PF 6 ] n ( n = 0, 1)

Keith Man-Chung Wong , Sally Chan-Fung Lam , Chi-Chiu Ko , Nianyong Zhu , Séverine Roué
Inorganic Chemistry, 2003, 42 (22), pp.7086-7097. ⟨10.1021/ic030226d⟩
Article dans une revue hal-03052937v1

Synthesis, Photophysical and Nonlinear Optical Properties of Macromolecular Architectures Featuring Octupolar Tris(bipyridine) Ruthenium(II) Moieties: Evidence for a Supramolecular Self-Ordering in a Dentritic Structure

Thomas Le Bouder , Arnaud Bondon , Karine Costuas , Edmond Amouyal , Isabelle Ledoux
Journal of the American Chemical Society, 2003, 125 (40), pp.12284-12299. ⟨10.1021/ja030296j⟩
Article dans une revue hal-03052935v1

Redox-Switchable Second-Order Molecular Polarizabilities with Electron-Rich Iron σ-Aryl Acetylides †

Frédéric Paul , Karine Costuas , Isabelle Ledoux , Sandrine Deveau , Joseph Zyss
Organometallics, 2002, 21 (24), pp.5229-5235. ⟨10.1021/om020303x⟩
Article dans une revue hal-03052929v1

Iron–iron interaction through an ethanedithiolate ligand: a magnetic and theoretical study

Karine Costuas , Maria Luisa Valenzuela , Andres Vega , Yanko Moreno , Octavio Peña
Inorganica Chimica Acta Reviews, 2002, 329 (1), pp.129-134. ⟨10.1016/S0020-1693(01)00734-4⟩
Article dans une revue hal-03052932v1

Classical and non-classical iron hydrides: synthesis, NMR characterisation, theoretical investigation and X-ray crystal structure of the iron(IV) dihydride 〚Cp*Fe(dppe)(H)2〛+BF4–

Jean-René Hamon , Paul Hamon , Loic Toupet , Karine Costuas , Jean-Yves Saillard
Comptes Rendus. Chimie, 2002, 5 (2), pp.89-98. ⟨10.1016/S1631-0748(02)01327-9⟩
Article dans une revue hal-03052933v1

Preparation of buta-1,3-diynyl complexes of platinum(ii) and their use in the construction of neutral molecular squares: synthesis, structural and theoretical characterisation of cyclo-{Pt(µ-CCCC)(dppe)}4 and related chemistry

Michael Bruce , Karine Costuas , Jean-François Halet , Ben Hall , Paul Low
Journal of the Chemical Society Dalton Transactions, 2002, 3, pp.383-398. ⟨10.1039/b107929h⟩
Article dans une revue hal-03052931v1

Structure and Chemical Activity of Point Defects on MgCl 2 (001) Surface

Karine Costuas , Michele Parrinello
Journal of Physical Chemistry B, 2002, 106 (17), pp.4477-4481. ⟨10.1021/jp014216e⟩
Article dans une revue hal-03052928v1

New charge transfer salts based on bis(ethylenedithio)tetrathiafulvalene (ET) and ferro or antiferromagnetic oxalato-bridged dinuclear anions: Syntheses, structures and magnetism of ET5[MM′(C2O4)(NCS)8] with MM′ = CrIIIFeIII, CrIIICrIII

Smail Triki , F. Bérézovsky , J.S. Pala , C.J. Gómez-García , E. Coronado
Inorganic Chemistry, 2001, 40 (20), pp.5127-5132. ⟨10.1021/ic010197b⟩
Article dans une revue hal-01770142v1

A density functional theory investigation of the polytopal rearrangement of square-based pyramidal clusters: C5H5+, P5+ and Sb5+

N.S. Lokbani-Azzouz , K. Costuas , J.-F. Halet , J.-Y. Saillard
Journal of Molecular Structure: THEOCHEM, 2001, 571 (1-3), pp.1-6. ⟨10.1016/S0166-1280(00)00838-1⟩
Article dans une revue hal-03052927v1

Theoretical, Thermodynamic, Spectroscopic, and Structural Studies of the Consequences of One-Electron Oxidation on the Fe−X Bonds in 17- and 18-Electron Cp*Fe(dppe)X Complexes (X = F, Cl, Br, I, H, CH 3 )

Mats Tilset , Irene Fjeldahl , Jean-René Hamon , Paul Hamon , Loic Toupet
Journal of the American Chemical Society, 2001, 123 (41), pp.9984-10000. ⟨10.1021/ja0106927⟩
Article dans une revue hal-03052923v1

A density functional theory investigation of the polytopal rearrangement of square-based pyramidal clusters: C5H5+, P5+ and Sb5+

Smail Triki , Florence Bérézovsky , Jean Sala Pala , Carlos Gómez-García , Eugenio Coronado
Journal of Molecular Structure: THEOCHEM, 2001, 571 (1-3), pp.1-6. ⟨10.1016/S0166-1280(00)00838-1⟩
Article dans une revue hal-03052925v1

Organometallic Mixed-Valence Systems. Two-Center and Three-Center Compounds with m eta Connections around a Central Phenylene Ring

Tania Weyland , Karine Costuas , Loic Toupet , Jean-François Halet , Claude Lapinte
Organometallics, 2000, 19 (21), pp.4228-4239. ⟨10.1021/om000341l⟩
Article dans une revue hal-03052920v1

Oxidation Chemistry of Metal-Bonded C 4 Chains: A Combined Chemical, Spectroelectrochemical, and Computational Study

Michael Bruce , Paul Low , Karine Costuas , Jean-François Halet , Stephen Best
Journal of the American Chemical Society, 2000, 122 (9), pp.1949-1962. ⟨10.1021/ja992002t⟩
Article dans une revue hal-03052918v1

Migration of a phenyl group from co-ordinated CH2(PPh2)2 to an acetylide on an Ru3 cluster: crystal structure of [Ru3(μ-H)(μ3-PPhCH2PPh2)(μ3-PhC2But)(CO)6] 

Michael Bruce , Paul Humphrey , Brian Skelton , Allan White , Karine Costuas
Journal of the Chemical Society Dalton Transactions, 1999, 3, pp.479-486. ⟨10.1039/A807008C⟩
Article dans une revue hal-03052911v1

Theoretical Investigation of Electron-Deficient and/or Paramagnetic Complexes Composed of the Cp*Fe(dppe) Unit and of Related Compounds

Karine Costuas , Jean-Yves Saillard
Organometallics, 1999, 18 (13), pp.2505-2512. ⟨10.1021/OM990191I⟩
Article dans une revue hal-03052899v1

A molecular orbital investigation of the diamagnetism and stability of triangular 50-electron M3Ln clusters

Maria Teresa Garland , Karine Costuas , Samia Kahlal , Jean-Yves Saillard
New Journal of Chemistry, 1999, 23 (5), pp.509-515. ⟨10.1039/a900421a⟩
Article dans une revue hal-03052914v1

Is Ti(η8-pentalene)2 a 20-electron complex? A theoretical investigation of a pseudo electron-rich molecule

Karine Costuas , Jean-Yves Saillard
Chemical Communications, 1998, 18, pp.2047-2048. ⟨10.1039/a805682j⟩
Article dans une revue hal-03052892v1

[(Cp*)(dppe)Fe(III)−] + Units Bridged through 1,3-Diethynylbenzene and 1,3,5-Triethynylbenzene Spacers: Ferromagnetic Metal−Metal Exchange Interaction

Tania Weyland , Karine Costuas , Alain Mari , Jean-François Halet , Claude Lapinte
Organometallics, 1998, 17 (25), pp.5569-5579. ⟨10.1021/OM980778H⟩
Article dans une revue hal-03052895v1

Preparation of photoprotective dihydropyridinone compositions

Nicolas Gouault , Hung Nguyen Khahn , Sophie Tomasi , Karine Costuas
France, Patent n° : WO 2014167225. 2014
Brevet hal-01116163v1

Analogues de mycosporines en tant que photoprotecteurs.

Sophie Tomasi , Nicolas Gouault , Karine Costuas , Khan Hung Nguyen
France, N° de brevet: Composés photoprotecteurs (V/Réf. DI : 1155_UR1_B - N/Réf. FR 13 53106 CEB). 2013
Brevet hal-00872735v1