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97

Computational - Coordination Chemistry


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.

 

Publications, Patent and Scientific Communications: 

            (of which 1 Mat. Horizons, 3 Angew. Chem.; 11 J. Am. Chem. Soc.;  1 Chem. Sci.; 3 Chem. Commun)


Journal articles93 documents

  • Khadidja Talha Yassia, Lotfi Belkhiri, Karine Costuas, Abdou Boucekkine. How the Ancillary Ligand X Drives the Redox Properties of Biscyclopentadienyl Pentavalent Uranium Cp(2)U(═N-Ar)X Complexes. Inorganic Chemistry, American Chemical Society, 2021, ⟨10.1021/acs.inorgchem.0c02908⟩. ⟨hal-03128560⟩
  • Sloane Evariste, Ali Moustafa Khalil, Sebastien Kerneis, Chendong Xu, Guillaume Calvez, et al.. Luminescent vapochromic single crystal to single crystal transition in one-dimensional coordination polymer featuring the first Cu(i) dimer bridged by an aqua ligand. Inorganic Chemistry Frontiers, Royal Society of Chemistry, 2020, 7 (18), pp.3402-3411. ⟨10.1039/d0qi00691b⟩. ⟨hal-02957759⟩
  • M. El Sayed Moussa, A.M. Khalil, S. Evariste, H.-L. Wong, V. Delmas, et al.. Intramolecular rearrangements guided by adaptive coordination-driven reactions toward highly luminescent polynuclear Cu(i) assemblies. Inorganic Chemistry Frontiers, Royal Society of Chemistry, 2020, 7 (6), pp.1334-1344. ⟨10.1039/c9qi01595g⟩. ⟨hal-02536595⟩
  • Vincent Delmas, Valentin Diez-Cabanes, Colin van Dyck, Elke Scheer, Karine Costuas, et al.. On the reliability of acquiring molecular junction parameters by Lorentzian fitting of I/V curves. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2020, 22 (46), pp.26702-26706. ⟨10.1039/d0cp05372d⟩. ⟨hal-03037926⟩
  • Siddhartha De, Alexandrine Flambard, Delphine Garnier, Patrick Herson, Frank H Köhler, et al.. 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. Chemistry - A European Journal, Wiley-VCH Verlag, 2019, 25 (52), pp.12120-12136. ⟨10.1002/chem.201902239⟩. ⟨hal-02280844⟩
  • Mikael Kepenekian, Yann Molard, Karine Costuas, Pierric Lemoine, Régis Gautier, et al.. Red-NIR luminescence of Mo 6 monolayered assembly directly anchored on Au(001). Materials Horizons, cRoyal Society of Chemistry, 2019, 6 (9), pp.1828-1833. ⟨10.1039/c9mh00724e⟩. ⟨hal-02332145⟩
  • G. Daigre, K. Costuas, M.S. Tarasenko, A.Y. Ledneva, N.G. Naumov, et al.. Stabilization of Ni2+ dimers in hexacyano Mo6 cluster-based Prussian blue derivatives: Experimental and theoretical investigations of magnetic properties. Dalton Transactions, Royal Society of Chemistry, 2018, 47 (4), pp.1122-1130. ⟨10.1039/c7dt02748f⟩. ⟨hal-01713505⟩
  • Albert-Manga Badiane, Stéphane Freslon, Carole Daiguebonne, Yan Suffren, Kevin Bernot, et al.. Lanthanide-Based Coordination Polymers with a 4,5-Dichlorophthalate Ligand Exhibiting Highly Tunable Luminescence Toward Luminescent Bar Codes. Inorganic Chemistry, American Chemical Society, 2018, 57 (6), pp.3399-3410. ⟨10.1021/acs.inorgchem.8b00169⟩. ⟨hal-01744287⟩
  • S. Rodriguez-Gonzalez, Z. Xie, Olivier Galangau, P. Selvanathan, L. Norel, et al.. HOMO Level Pinning in Molecular Junctions Joint Theoretical and Experimental Evidence. Journal of Physical Chemistry Letters, American Chemical Society, 2018, 9 (9), pp.2394-2403. ⟨10.1021/acs.jpclett.8b00575⟩. ⟨hal-01807082⟩
  • Sloane Evariste, Ali Moustafa Khalil, Mehdi Elsayed Moussa, Alan Kwun-Wa Chan, Eugene Yau-Hin Hong, et al.. Adaptive Coordination-Driven Supramolecular Syntheses toward New Polymetallic Cu(I) Luminescent Assemblies. Journal of the American Chemical Society, American Chemical Society, 2018, 140 (39), pp.12521-12526. ⟨10.1021/jacs.8b06901⟩. ⟨hal-01862466⟩
  • Benjamin Dierre, Karine Costuas, Noee Dumait, Serge Paofai, Maria Amela-Cortes, et al.. Mo-6 cluster-based compounds for energy conversion applications: comparative study of photoluminescence and cathodoluminescence. Science and Technology of Advanced Materials, National Institute for Materials Science, 2017, 18 (1), pp.458--466. ⟨10.1080/14686996.2017.1338496⟩. ⟨hal-01578524⟩
  • E. Di Piazza, C. Boilleau, A. Vacher, K. Merahi, L. Norel, et al.. Ruthenium Carbon-Rich Group as a Redox-Switchable Metal Coupling Unit in Linear Trinuclear Complexes. Inorganic Chemistry, American Chemical Society, 2017, 56 (23), pp.14540-14555. ⟨10.1021/acs.inorgchem.7b02288⟩. ⟨hal-01671622⟩
  • Karl Ridier, Abhishake Mondal, Corentin Boilleau, Olivier Cador, Béatrice Gillon, et al.. Polarized Neutron Diffraction to Probe Local Magnetic Anisotropy of a Low-Spin Fe(III) Complex. Angewandte Chemie International Edition, Wiley-VCH Verlag, 2016, 55 (12), pp.3963-3967. ⟨10.1002/anie.201511354⟩. ⟨hal-01279121⟩
  • M. El Sayed Moussa, S. Evariste, H.-L. Wong, L. Le Bras, Claire Roiland, et al.. A solid state highly emissive Cu(i) metallacycle: promotion of cuprophilic interactions at the excited states. Chemical Communications, Royal Society of Chemistry, 2016, 52 (76), pp.11370-11373. ⟨10.1039/C6CC06613E⟩. ⟨hal-01367375⟩
  • Billel Teyar, Lotfi Belkhiri, Karine Costuas, Abdou Boucekkine, Karsten Meyer. Electronic Structure and Magnetic Properties of Dioxo-Bridged Diuranium Complexes with Diamond-Core Structural Motifs: A Relativistic DFT Study. Inorganic Chemistry, American Chemical Society, 2016, 55 (6), pp.2870-2881. ⟨10.1021/acs.inorgchem.5b02704⟩. ⟨hal-01282458⟩
  • Karl Ridier, Abhishake Mondal, Corentin Boilleau, Olivier Cador, Béatrice Gillon, et al.. Innenrücktitelbild: Polarized Neutron Diffraction to Probe Local Magnetic Anisotropy of a Low-Spin Fe(III) Complex (Angew. Chem. 12/2016). Angewandte Chemie, 2016, 128 (12), pp.4171--4171. ⟨10.1002/ange.201601870⟩. ⟨hal-01295511⟩
  • Carolin Sieck, Meng Guan Tay, Marie-Helene Thibault, Robert M. Edkins, Karine Costuas, et al.. Reductive Coupling of Diynes at Rhodium Gives Fluorescent Rhodacyclopentadienes or Phosphorescent Rhodium 2,2'-Biphenyl Complexes. Chemistry - A European Journal, Wiley-VCH Verlag, 2016, 22 (30), pp.10523-10532. ⟨10.1002/chem.201601912⟩. ⟨hal-01395463⟩
  • K. Costuas, A. Garreau, A. Bulou, B. Fontaine, Jérôme Cuny, et al.. Combined theoretical and time-resolved photoluminescence investigations of [Mo6Bri8Bra6]2− metal cluster units: evidence of dual emission. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2015, 17 (43), pp.28574-28585. ⟨10.1039/C5CP03960F⟩. ⟨hal-01222623⟩
  • Abdelkader Ladjarafi, Karine Costuas, Hacène Meghezzi, Jean-François Halet. Electronic structure of modelized vs. real carbon-chain containing organometallic dinuclear complexes: similarities and differences. Journal of Molecular Modeling, Springer Verlag (Germany), 2015, 21 (4), pp.71. ⟨10.1007/s00894-015-2623-3⟩. ⟨hal-01143236⟩
  • Karine Costuas. Molecular switches in carbon-rich organometallic compounds: Theoretical aspects.. AIP Conference Proceedings, American Institute of Physics, 2015, 1642, pp.461--464. ⟨10.1063/1.4906720⟩. ⟨hal-01153421⟩
  • Hiba Sahnoune, Nicolas Gauthier, Katy Green, Karine Costuas, Frédéric Paul, et al.. Fe(dppe)(η5-C5Me5)-Based Phenylalkynyl Complexes Featuring an NO2 End Group: A Theoretical Analysis. Australian Journal of Chemistry, CSIRO Publishing, 2015, 68 (9), pp.1352--1358. ⟨10.1071/CH15136⟩. ⟨hal-01198731⟩
  • Francois Le Natur, Guillaume Calvez, Jean-Paul Guégan, Laurent Le Polles, Xavier Trivelli, et al.. Characterization and Luminescence Properties of Lanthanide-Based Polynuclear Complexes Nanoaggregates. Inorganic Chemistry, American Chemical Society, 2015, 54 (12), pp.6043-6054. ⟨10.1021/acs.inorgchem.5b00947⟩. ⟨hal-01162339⟩
  • Alexandre Burgun, Frederic Gendron, Christopher J.Sumby, Thierry Roisnel, Olivier Cador, et al.. 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. Organometallics, American Chemical Society, 2014, 33 (10), pp.2613-2627. ⟨10.1021/om500328y⟩. ⟨hal-01016852⟩
  • Andreas Steffen, Karine Costuas, Abdou Boucekkine, Marie-Helene Thibault, Andrew Beeby, et al.. Fluorescence in Rhoda- and Iridacyclopentadienes Neglecting the Spin-Orbit Coupling of the Heavy Atom: The Ligand Dominates. INORGANIC CHEMISTRY, 2014, 53 (13), pp.7055-7069. ⟨10.1021/ic501115k⟩. ⟨hal-02142259⟩
  • Yifei Liu, Cheikh Mbacké Ndiaye, Corinne Lagrost, Karine Costuas, Sylvie Choua, et al.. Diarylethene-Containing Carbon-Rich Ruthenium Organometallics: Tuning of Electrochromism. Inorganic Chemistry, American Chemical Society, 2014, 53 (15), pp.8172-8188. ⟨10.1021/ic5013044⟩. ⟨hal-01092872⟩
  • Lucie Norel, Min Feng, Kevin Bernot, Thierry Roisnel, Thierry Guizouarn, et al.. Redox Modulation of Magnetic Slow Relaxation in a 4f-​Based Single-​Molecule Magnet with a 4d Carbon-​Rich Ligand. Inorganic Chemistry, American Chemical Society, 2014, 53 (5), pp.2361-2363. ⟨10.1021/ic403081y⟩. ⟨hal-00973431⟩
  • Frederic Justaud, Frédéric Gendron, Yoshiyuki Ogyu, Yuki Kumamoto, Akira Miyazaki, et al.. Hybrid molecular systems containing tetrathiafulvalene and iron-alkynyl electrophores : five-component functional molecules obtained from C-H bond activation.. Chemistry - A European Journal, Wiley-VCH Verlag, 2013, 19 (18), pp.5742-57. ⟨10.1002/chem.201204227⟩. ⟨hal-00822744⟩
  • Alexandre Burgun, Frédéric Gendron, Thierry Roisnel, S. Sinbandhit, Karine Costuas, et al.. Oxidative Activation of Aryldiynyl-Iron Complexes: Regio-Selective Dimerization. Organometallics, American Chemical Society, 2013, 32 (6), pp.1866−1875. ⟨10.1021/om400014g⟩. ⟨hal-00840059⟩
  • Katy Green, Nicolas Gauthier, Hiba Sahnoune, Gilles Argouarch, Loïc Toupet, et al.. Synthesis and Characterization of Redox-Active Mononuclear Fe(κ2-dppe)(η5-C5Me5)-Terminated π-Conjugated Wires. Organometallics, American Chemical Society, 2013, 32 (15), pp.4366-4381. ⟨10.1021/om400515g⟩. ⟨hal-00874153⟩
  • Michael I. Bruce, Marcus L. Cole, Karine Costuas, Benjamin G. Ellis, Kathy A. Kramarczuk, et al.. Syntheses and Structural Studies of Several Group 8 Metal Complexes Derived from 1, 3-Butadiyne. Journal of Inorganic and General Chemistry / Zeitschrift für anorganische und allgemeine Chemie, Wiley-VCH Verlag, 2013, 639 (12-13), pp.2216-2223. ⟨10.1002/zaac.201300282⟩. ⟨hal-00875518⟩
  • Kei Murata, Akiko Inagaki, Munetaka Akita, Jean-François Halet, Karine Costuas. Revelation of the photoactive species in the photocatalytic dimerization of - méthylstyrene by a dinuclear ruthenium-palladium complex. Inorganic Chemistry, American Chemical Society, 2013, 52 (14), pp.80-0-8039. ⟨10.1021/ic400666v⟩. ⟨hal-00874185⟩
  • Alexandre Burgun, Frédéric Gendron, Phil A. Schauer, Brian W. Skelton, Paul J. Low, et al.. Straightforward Access to Tetrametallic Complexes with a Square Array by Oxidative Dimerization of Organometallic Wires. Organometallics, American Chemical Society, 2013, 32 (18), pp.5015-5025. ⟨10.1021/om4003768⟩. ⟨hal-00839872⟩
  • Fanben Meng, Yves-Marie Hervault, Lucie Norel, Karine Costuas, Colin van Dyck, et al.. Photo-modulable Molecular Transport Junctions based on Organometallic Molecular Wires. Chemical Science , The Royal Society of Chemistry, 2012, 3 (10), pp.3113-3118. ⟨10.1039/C2SC20323E⟩. ⟨hal-00753710⟩
  • Michael I. Bruce, Karine Costuas, Frédéric Gendron, Jean-François Halet, Martyn Jevric, et al.. Oxidative Dimerisation of Aryldiynyl-ruthenium Complexes. Organometallics, American Chemical Society, 2012, 31 (18), pp.6555-6566. ⟨10.1021/om3005146⟩. ⟨hal-00753699⟩
  • Ciro d'Amico, Maciej Lorenc, Eric Collet, Katy A. Green, Karine Costuas, et al.. Probing Charge-Transfer Excited States in a Quasi-Nonluminescent Electron-Rich Fe(II)-Acetylide Complex by Femtosecond Optical Spectroscopy. Journal of Physical Chemistry C, American Chemical Society, 2012, 116 (5), pp.3719-3727. ⟨10.1021/jp208522w⟩. ⟨hal-00753756⟩
  • Frédéric Gendron, Alexandre Burgun, B. W. Skelton, A. H. White, Thierry Roisnel, et al.. 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. Organometallics, American Chemical Society, 2012, 31 ((19)), pp.6796-6811. ⟨10.1021/om300584u⟩. ⟨hal-00753601⟩
  • Floriane Malvolti, Alexander Trujillo, Olivier Cador, Frédéric Gendron, Karine Costuas, et al.. 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. Inorganica Chimica Acta, Elsevier, 2011, 374 (1), pp.288-301. ⟨10.1016/j.ica.2011.03.002⟩. ⟨hal-00824161⟩
  • Emmanuel Di Piazza, Lucie Norel, Karine Costuas, Adrien Bourdolle, Olivier Maury, et al.. d-f heterobimetallic association between ytterbium and ruthenium carbon-rich complexes: redox commutation of near-IR luminescence.. Journal of the American Chemical Society, American Chemical Society, 2011, 133 (16), pp.6174-6. ⟨10.1021/ja2023515⟩. ⟨hal-00860780⟩
  • Karine Costuas, Olivier Cador, Frédéric Justaud, Sylvie Le Stang, Frédéric Paul, et al.. 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.. Inorganic Chemistry, American Chemical Society, 2011, 50 (24), pp.12601-22. ⟨10.1021/ic2016148⟩. ⟨hal-00859922⟩
  • Karine Costuas, Stéphane Rigaut. Polynuclear carbon-rich organometallic complexes: clarification of the role of the bridging ligand in the redox properties.. Dalton Transactions, Royal Society of Chemistry, 2011, 40 (21), pp.5643-58. ⟨10.1039/c0dt01388a⟩. ⟨hal-00860419⟩
  • Nicolas Gauthier, Gilles Argouarch, Frédéric Paul, Loïc Toupet, Abdelkader Ladjarafi, et al.. Electron-rich iron/ruthenium arylalkynyl complexes for third-order nonlinear optics: redox-switching between three states.. Chemistry - A European Journal, Wiley-VCH Verlag, 2011, 17 (20), pp.5561-77. ⟨10.1002/chem.201003427⟩. ⟨hal-00860501⟩
  • Emma C. Fitzgerald, Abdelkader Ladjarafi, Neil J. Brown, David Collison, Karine Costuas, et al.. 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. Organometallics, American Chemical Society, 2011, 30 (15), pp.4180-4195. ⟨10.1021/om200488b⟩. ⟨hal-00738751⟩
  • Céline Olivier, Karine Costuas, Sylvie Choua, Vincent Maurel, Philippe Turek, et al.. "Chain-like" trimetallic ruthenium complexes with C7 carbon-rich bridges: experimental and theoretical investigations of electronic communication tuning in five distinct oxidation states.. Journal of the American Chemical Society, American Chemical Society, 2010, 132 (16), pp.5638-51. ⟨10.1021/ja908948g⟩. ⟨hal-00860803⟩
  • Dan A. Smith, Andrei S. Batsanov, Karine Costuas, Ruth Edge, David C. Apperley, et al.. Exploiting Non-Innocent Ligands to Prepare Masked Palladium(0) Complexes. Angewandte Chemie International Edition, Wiley-VCH Verlag, 2010, 49 (39), pp.7040-7044. ⟨10.1002/anie.201003946⟩. ⟨hal-00860851⟩
  • Frédéric Paul, Floriane Malvolti, Grégory da Costa, Sylvie Le Stang, Frederic Justaud, et al.. Spin Distribution in Electron-Rich Piano-Stool Iron(III) Pyridylalkynyl Radical Cations Containing [(eta(2)-dppe)(eta(5)-C5Me5)FeC C](+) End Groups.. Organometallics, American Chemical Society, 2010, 29 (11), pp.2491-2502. ⟨10.1021/om100173x⟩. ⟨hal-00496187⟩
  • Nicolas Gauthier, Noureddine Tchouar, Frederic Justaud, Gilles Argouarch, Marie P. Cifuentes, et al.. 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. Organometallics, American Chemical Society, 2009, 28 (7), pp.2253-2266. ⟨10.1021/om801138q⟩. ⟨hal-00442450⟩
  • Frédéric Paul, Arnaud Bondon, Grégory da Costa, Floriane Malvolti, Sourisak Sinbandhit, et al.. 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.. Inorganic Chemistry, American Chemical Society, 2009, 48 (22), pp.10608-24. ⟨10.1021/ic9011026⟩. ⟨inserm-00713255⟩
  • Eric Furet, Karine Costuas, Philippe Rabiller, Olivier Maury. On the sensitivity of f electrons to their chemical environment.. Journal of the American Chemical Society, American Chemical Society, 2008, 130 (7), pp.2180-3. ⟨10.1021/ja073224r⟩. ⟨hal-00725173⟩
  • Yifei Liu, C. Lagrost, K. Costuas, N. Tchouar, Hubert Le Bozec, et al.. A multifunctional organometallic switch with carbon-rich ruthenium and diarylethene units. Chemical Communications, Royal Society of Chemistry, 2008, pp.6117-6119. ⟨hal-00355532⟩
  • J. S. Siddle, R. M. Ward, J. C. Collings, S. R. Rutter, L. Porrès, et al.. Synthesis, photophysics, and crystal and molecular structures of luminescent 2,5-bis(p-R-phenylethynyl)thiophenes and 2,5-bis(pentafluorophenylethynyl)thiophene. N. J. Chem., 2007, 31, pp.841-851. ⟨hal-00354928⟩
  • Frédéric Paul, Grégory da Costa, Arnaud Bondon, Nicolas Gauthier, Sourisak Sinbandhit, et al.. Spin Delocalization in Electron-Rich Iron(III) Piano-Stool -Acetylides. An Experimental (NMR) and Theoretical (DFT) Investigation. Organometallics, American Chemical Society, 2007, 26 (4), pp.874 -896. ⟨10.1021/om060989j⟩. ⟨hal-00135001⟩
  • Jamie S. Siddle, Richard M. Ward, Jonathan C. Collings, Simon R. Rutter, Laurent Porrès, et al.. Synthesis, photophysics and molecular structures of luminescent 2,5-bis(phenylethynyl)thiophenes (BPETs). New Journal of Chemistry, Royal Society of Chemistry, 2007, 31 (6), pp.841-851. ⟨10.1039/B701172E⟩. ⟨hal-00862434⟩
  • Frédéric de Montigny, Ramón Macias, Bruce C. Noll, Thomas P. Fehlner, Karine Costuas, et al.. Metallaborane reactivity. A stoichiometric mechanism for the insertion of two alkynes into an iridaborane framework via a disposable molybdenum chaperone.. Journal of the American Chemical Society, American Chemical Society, 2007, 129 (11), pp.3392-401. ⟨10.1021/ja068999z⟩. ⟨hal-00354919⟩
  • Michael I. Bruce, Karine Costuas, Thomas Davin, Jean-François Halet, Kathy A. Kramarczuk, et al.. 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)]. Dalton Transactions, Royal Society of Chemistry, 2007, pp.5387-5399. ⟨10.1039/B712104K⟩. ⟨hal-00862396⟩
  • M. I. Bruce, K. Costuas, T. Davin, Jean-François Halet, K. A. Kramarczuk, et al.. Syntheses, structures and redox properties of some complexes containing the Os(dppe)Cp* fragment, including {Os(dppe)Cp*}2(m-CºCCºC). Dalton Transactions, Royal Society of Chemistry, 2007, pp.5387-5399. ⟨hal-00354887⟩
  • Michael I. Bruce, Karine Costuas, Ben G. Ellis, Jean-François Halet, Paul J. Low, et al.. Redox-Active Complexes Containing Group 8 Metal Centers Linked by C2 Bridges. Organometallics, American Chemical Society, 2007, 26 (15), pp.3735-3745. ⟨10.1021/om7002859⟩. ⟨hal-00354910⟩
  • Frédéric Paul, Benjamin G. Ellis, Michael I. Bruce, Loic Toupet, Thierry Roisnel, et al.. 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). Organometallics, American Chemical Society, 2006, 25 (3), pp.649-665. ⟨10.1021/om050799t⟩. ⟨hal-00862733⟩
  • Katel Hervé, Olivier Cador, Stéphane Golhen, Karine Costuas, Jean-François Halet, et al.. 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. Chemistry of Materials, American Chemical Society, 2006, 18 (3), pp.790-797. ⟨10.1021/cm052199q⟩. ⟨hal-00863192⟩
  • Saïda Bendjaballah, Samia Kahlal, Karine Costuas, Emile Bévillon, Jean-Yves Saillard. The versatility of pentalene coordination to transition metals: a density functional theory investigation.. Chemistry - A European Journal, Wiley-VCH Verlag, 2006, 12 (7), pp.2048-65. ⟨10.1002/chem.200500765⟩. ⟨hal-00862767⟩
  • Stéphane Rigaut, Céline Olivier, Karine Costuas, Sylvie Choua, Omrane Fadhel, et al.. C7 and C9 carbon-rich bridges in diruthenium systems: synthesis, spectroscopic, and theoretical investigations of different oxidation States.. Journal of the American Chemical Society, American Chemical Society, 2006, 128 (17), pp.5859-76. ⟨10.1021/ja0603453⟩. ⟨hal-00322290⟩
  • Lydie Viau, Itamar Malkowsky, Karine Costuas, Stéphanie Boulin, Loic Toupet, et al.. Photoisomerizable Bipyridine Ligands and Macroligands: Absorption, Photoisomerization Properties and Theoretical Study. ChemPhysChem, Wiley-VCH Verlag, 2006, 7 (3), pp.644 - 657. ⟨10.1002/cphc.200500473⟩. ⟨hal-00118320⟩
  • Nadia Ouddaï, Karine Costuas, Mustafa Bencharif, Jean-Yves Saillard, Jean-François Halet. Theoretical aspects of the bonding in acetylide-bridged organometallic dinuclear complexes. Comptes Rendus Chimie, Elsevier Masson, 2005, 8 (8), pp.1336-1350. ⟨10.1016/j.crci.2005.02.022⟩. ⟨hal-03052946⟩
  • Michael Bruce, Karine Costuas, Thomas Davin, Benjamin Ellis, Jean-François Halet, et al.. 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). Organometallics, American Chemical Society, 2005, 24 (16), pp.3864-3881. ⟨10.1021/om050293a⟩. ⟨hal-03052947⟩
  • Yannick Ortin, Noël Lugan, Sébastien Pillet, Mohammed Souhassou, Claude Lecomte, et al.. A Favorable Case Where an Experimental Electron Density Analysis Offers a Lead for Understanding a Specific Fluxional Process Observed in Solution. Inorganic Chemistry, American Chemical Society, 2005, 44 (26), pp.9607-9609. ⟨10.1021/ic051239p⟩. ⟨hal-03052957⟩
  • Boris Le Guennic, Karine Costuas, Jean-François Halet, C. Nervi, Michael A.J. Paterson, et al.. Electronic interactions in bridged bis(cluster) assemblies – a comparison of para-CB10H10C, para-C6H4 and C4 bridges. Comptes Rendus Chimie, Elsevier Masson, 2005, 8 (11-12), pp.1883-1896. ⟨10.1016/j.crci.2005.03.016⟩. ⟨hal-03052949⟩
  • François Leca, Christophe Lescop, Elena Rodriguez-Sanz, Karine Costuas, Jean-François Halet, et al.. Bridging Phosphanes: Exotic or Versatile Binucleating Ligands?. Angewandte Chemie International Edition, Wiley-VCH Verlag, 2005, 44 (28), pp.4362-4365. ⟨10.1002/anie.200500529⟩. ⟨hal-03052955⟩
  • Frédéric Paul, Loic Toupet, Jean-Yves Thépot, Karine Costuas, Jean-François Halet, et al.. Electron-Rich Piano-Stool Iron σ-Acetylides. Electronic Structures of Arylalkynyl Iron(III) Radical Cations †. Organometallics, American Chemical Society, 2005, 24 (22), pp.5464-5478. ⟨10.1021/om0505108⟩. ⟨hal-03052950⟩
  • Frédéric de Montigny, Gilles Argouarch, Karine Costuas, Jean-François Halet, Thierry Roisnel, et al.. Electron Transfer and Electron Exchange between [Cp*(dppe)Fe] n + ( n = 0, 1) Building Blocks Mediated by the 9,10-Bis(ethynyl)anthracene Bridge. Organometallics, American Chemical Society, 2005, 24 (19), pp.4558-4572. ⟨10.1021/om050403d⟩. ⟨hal-03052953⟩
  • Y. Ortin, N. Lugan, S. Pillet, M. Souhassou, C. Lecomte, et al.. Where an experimental electron density analysis is seen to help in a better understanding of a specific dynamic process in solution. Inorganic Chemistry, American Chemical Society, 2005, 44, pp.9607-9609. ⟨hal-00021288⟩
  • Michael Bruce, Mark Buntine, Karine Costuas, Benjamin Ellis, Jean-François Halet, et al.. Some ruthenium complexes containing cyanocarbon ligands: syntheses, structures and extent of electronic communication in binuclear systems. Journal of Organometallic Chemistry, Elsevier, 2004, 689 (21), pp.3308-3326. ⟨10.1016/j.jorganchem.2004.07.030⟩. ⟨hal-03052941⟩
  • Samuel Hung-Fai Chong, Sally Chan-Fung Lam, Vivian Wing-Wah Yam, Nianyong Zhu, Kung-Kai Cheung, et al.. Luminescent Heterometallic Branched Alkynyl Complexes of Rhenium(I)−Palladium(II): Potential Building Blocks for Heterometallic Metallodendrimers. Organometallics, American Chemical Society, 2004, 23 (21), pp.4924-4933. ⟨10.1021/om049696l⟩. ⟨hal-03052942⟩
  • Stéphane Rigaut, K Costuas, D Touchard, Jy Saillard, S Golhen, et al.. Bis-allenylidene metal complex and unique related radical with delocalization of one electron over both trans carbon-rich chains. Journal of the American Chemical Society, American Chemical Society, 2004, 126 (13), pp.4072--4073. ⟨10.1021/ja049631+⟩. ⟨hal-01475055⟩
  • Karine Costuas, Frédéric Paul, Loic Toupet, Jean-François Halet, Claude Lapinte. Electron-Rich Piano-Stool Iron σ-Acetylides. † Theoretical and Phenomenological Investigation of Electronic Substituent Effects in Iron(II) Acetylides. Organometallics, American Chemical Society, 2004, 23 (9), pp.2053-2068. ⟨10.1021/om030630k⟩. ⟨hal-03052945⟩
  • Keith Man-Chung Wong, Sally Chan-Fung Lam, Chi-Chiu Ko, Nianyong Zhu, Séverine Roué, et al.. 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). Inorganic Chemistry, American Chemical Society, 2003, 42 (22), pp.7086-7097. ⟨10.1021/ic030226d⟩. ⟨hal-03052937⟩
  • Françoise Coat, Frédéric Paul, Claude Lapinte, Loic Toupet, Karine Costuas, et al.. Chemistry of the 1,3,5,7-octatetraynediyl carbon rod end-capped by two electron-rich (η5-C5Me5)(η2-dppe)Fe groups. Journal of Organometallic Chemistry, Elsevier, 2003, 683 (2), pp.368-378. ⟨10.1016/S0022-328X(03)00709-5⟩. ⟨hal-03052938⟩
  • Haijun Jiao, Karine Costuas, John Gladysz, Jean-François Halet, Maud Guillemot, et al.. 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. Journal of the American Chemical Society, American Chemical Society, 2003, 125 (31), pp.9511-9522. ⟨10.1021/ja034619n⟩. ⟨hal-03052940⟩
  • Thomas Le Bouder, Arnaud Bondon, Karine Costuas, Edmond Amouyal, Isabelle Ledoux, et al.. 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. Journal of the American Chemical Society, American Chemical Society, 2003, 125 (40), pp.12284-12299. ⟨10.1021/ja030296j⟩. ⟨hal-03052935⟩
  • Michael Bruce, Karine Costuas, Jean-François Halet, Ben Hall, Paul Low, et al.. 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. Journal of the Chemical Society Dalton Transactions, Royal Society of Chemistry, The, 2002, pp.383-398. ⟨10.1039/b107929h⟩. ⟨hal-03052931⟩
  • Karine Costuas, Michele Parrinello. Structure and Chemical Activity of Point Defects on MgCl 2 (001) Surface. Journal of Physical Chemistry B, American Chemical Society, 2002, 106 (17), pp.4477-4481. ⟨10.1021/jp014216e⟩. ⟨hal-03052928⟩
  • Frédéric Paul, Karine Costuas, Isabelle Ledoux, Sandrine Deveau, Joseph Zyss, et al.. Redox-Switchable Second-Order Molecular Polarizabilities with Electron-Rich Iron σ-Aryl Acetylides †. Organometallics, American Chemical Society, 2002, 21 (24), pp.5229-5235. ⟨10.1021/om020303x⟩. ⟨hal-03052929⟩
  • Jean-René Hamon, Paul Hamon, Loic Toupet, Karine Costuas, Jean-Yves Saillard. 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–. Comptes Rendus Chimie, Elsevier Masson, 2002, 5 (2), pp.89-98. ⟨10.1016/S1631-0748(02)01327-9⟩. ⟨hal-03052933⟩
  • Karine Costuas, Maria Luisa Valenzuela, Andres Vega, Yanko Moreno, Octavio Peña, et al.. Iron–iron interaction through an ethanedithiolate ligand: a magnetic and theoretical study. Inorganica Chimica Acta Reviews, Elsevier, 2002, 329 (1), pp.129-134. ⟨10.1016/S0020-1693(01)00734-4⟩. ⟨hal-03052932⟩
  • Smail Triki, Florence Bérézovsky, Jean Sala Pala, Carlos Gómez-García, Eugenio Coronado, et al.. A density functional theory investigation of the polytopal rearrangement of square-based pyramidal clusters: C5H5+, P5+ and Sb5+. Journal of Molecular Structure: THEOCHEM, Elsevier, 2001, 571 (1-3), pp.1-6. ⟨10.1016/S0166-1280(00)00838-1⟩. ⟨hal-03052925⟩
  • Smail Triki, F. Bérézovsky, J.S. Pala, C.J. Gómez-García, E. Coronado, et al.. 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. Inorganic Chemistry, American Chemical Society, 2001, 40 (20), pp.5127-5132. ⟨10.1021/ic010197b⟩. ⟨hal-01770142⟩
  • Mats Tilset, Irene Fjeldahl, Jean-René Hamon, Paul Hamon, Loic Toupet, et al.. 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 ). Journal of the American Chemical Society, American Chemical Society, 2001, 123 (41), pp.9984-10000. ⟨10.1021/ja0106927⟩. ⟨hal-03052923⟩
  • N.S. Lokbani-Azzouz, K. Costuas, J.-F. Halet, J.-Y. Saillard. A density functional theory investigation of the polytopal rearrangement of square-based pyramidal clusters: C5H5+, P5+ and Sb5+. Journal of Molecular Structure: THEOCHEM, Elsevier, 2001, 571 (1-3), pp.1-6. ⟨10.1016/S0166-1280(00)00838-1⟩. ⟨hal-03052927⟩
  • Tania Weyland, Karine Costuas, Loic Toupet, Jean-François Halet, Claude Lapinte. Organometallic Mixed-Valence Systems. Two-Center and Three-Center Compounds with m eta Connections around a Central Phenylene Ring. Organometallics, American Chemical Society, 2000, 19 (21), pp.4228-4239. ⟨10.1021/om000341l⟩. ⟨hal-03052920⟩
  • Michael Bruce, Paul Low, Karine Costuas, Jean-François Halet, Stephen Best, et al.. Oxidation Chemistry of Metal-Bonded C 4 Chains: A Combined Chemical, Spectroelectrochemical, and Computational Study. Journal of the American Chemical Society, American Chemical Society, 2000, 122 (9), pp.1949-1962. ⟨10.1021/ja992002t⟩. ⟨hal-03052918⟩
  • Karine Costuas, Jean-Yves Saillard. Theoretical Investigation of Electron-Deficient and/or Paramagnetic Complexes Composed of the Cp*Fe(dppe) Unit and of Related Compounds. Organometallics, American Chemical Society, 1999, 18 (13), pp.2505-2512. ⟨10.1021/OM990191I⟩. ⟨hal-03052899⟩
  • Michael Bruce, Paul Humphrey, Brian Skelton, Allan White, Karine Costuas, et al.. 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] . Journal of the Chemical Society Dalton Transactions, Royal Society of Chemistry, The, 1999, pp.479-486. ⟨10.1039/A807008C⟩. ⟨hal-03052911⟩
  • Maria Teresa Garland, Karine Costuas, Samia Kahlal, Jean-Yves Saillard. A molecular orbital investigation of the diamagnetism and stability of triangular 50-electron M3Ln clusters. New Journal of Chemistry, Royal Society of Chemistry, 1999, 23 (5), pp.509-515. ⟨10.1039/a900421a⟩. ⟨hal-03052914⟩
  • Karine Costuas, Jean-Yves Saillard. Is Ti(η8-pentalene)2 a 20-electron complex? A theoretical investigation of a pseudo electron-rich molecule. Chemical Communications, Royal Society of Chemistry, 1998, pp.2047-2048. ⟨10.1039/a805682j⟩. ⟨hal-03052892⟩
  • Tania Weyland, Karine Costuas, Alain Mari, Jean-François Halet, Claude Lapinte. [(Cp*)(dppe)Fe(III)−] + Units Bridged through 1,3-Diethynylbenzene and 1,3,5-Triethynylbenzene Spacers: Ferromagnetic Metal−Metal Exchange Interaction. Organometallics, American Chemical Society, 1998, 17 (25), pp.5569-5579. ⟨10.1021/OM980778H⟩. ⟨hal-03052895⟩

Conference papers2 documents

  • Jean-François Halet, Frédéric Gendron, Hiba Sahnoune, Karine Costuas, Alexandre Burgun, et al.. Subtle give-and-take between the carbon spacer and the metal termini to tune electronic and magnetic properties of organometallic wires. 248th ACS National Meeting & Exposition, Aug 2014, San Francisco, United States. ⟨hal-01114432⟩
  • Frédéric Paul, N. Gauthier, Grégory da Costa, Arnaud Bondon, Jy Thepot, et al.. Spin Distribution in Electron-rich Iron (III) Acetylides: ESR, NMR and DFT Study of Mononuclear Model Complexes.. 4th Japan-France Symposium on Molecular Materials:Electronics, Photonics and Spintronics, Mar 2007, Tokyo, Japan. ⟨hal-00457720⟩

Patents2 documents

  • Nicolas Gouault, Hung Nguyen Khahn, Sophie Tomasi, Karine Costuas. Preparation of photoprotective dihydropyridinone compositions. France, Patent n° : WO 2014167225. 2014. ⟨hal-01116163⟩
  • Sophie Tomasi, Nicolas Gouault, Karine Costuas, Khan Nguyen. Analogues de mycosporines en tant que photoprotecteurs.. France, N° de brevet: Composés photoprotecteurs (V/Réf. DI : 1155_UR1_B - N/Réf. FR 13 53106 CEB). 2013. ⟨hal-00872735⟩