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Christophe GOURLAOUEN - Publications

A Stoianov, C Gourlaouen, S Vela, C Daniel
Luminescent Dinuclear Copper (I) Complexes as Potential TADF Emitters: A Theoretical Study
J. Phys. Chem. A., 2018, 122 (5), 1413-1421

Kevin Soulis, Christophe Gourlaouen, Chantal Daniel, Alessia Quatela, Frabrice Odobel, Errol Blart, Fabrice Pellegrin
New Luminescent Copper(I) Complexes With Extended π-Conjugation
Polyhedron 140, 2018, 42-50, 2018

S. Dalgleish, L. Reissig, Y. Shuku, C. Gourlaouen, S. Vela, K. Awaga
Controlling the crystallinity and crystalline orientation of “shuttlecock” naphthalocyanine films for near-infrared optoelectronic applications
J. Mater. Chem. C, 2018, 6, 1959-1970 DOI: 10.1039/C7TC05521H

P. Ai, K. Yu. Monakhov, J. van Leusen, P. Kögerler, C. Gourlaouen, M. Tromp, R. Welter, A. A. Danopoulos, P. Braunstein
Linear CuI2Pd0, CuIPd02, and AgI2Pd0 Metal Chains Supported by Rigid N,N′‐Diphosphanyl N‐Heterocyclic Carbene Ligands and Metallophilic Interactions
Chemistry an european journal- Wiley, 2018,

C Daniel, C Gourlaouen
Chemical bonding alteration upon electronic excitation in transition metal complexes
Coordination Chemistry Reviews, 2017, 344, 131-149

B Schweitzer, C Daniel, C Gourlaouen
Metal–metal bonding in 1st, 2nd and 3rd row transition metal complexes: a topological analysis
Journal of Molecular Modeling, 2017, 23, 163

D. Specklin, C. Fliedel, C. Gourlaouen, J‐C. Bruyere, T. Avilés, C. Boudon, L. Ruhlmann, S. Dagorne
N‐Heterocyclic Carbene Based Tri‐organyl‐Zn–Alkyl Cations: Synthesis, Structures, and Use in CO2 Functionalization
Chemistry A European Journal Wiley online, 2017, 23, 23, 5509-5519, download

F. Elaieb, D. Sémeril, D. Matt, M. Pfeffer, P-A. Bouit, M. Hissler, C. Gourlaouen, J. Harrowfield
Calix[4]arene-fused phospholes
Dalton Transactions, 2017, 46, 9833-9845, doi: 10.1039/C7DT01899A

L. Monnereau, D. Sémeril, D. Matt, C. Gourlaouen
Catalytic Behaviour of Calixarenylphosphanes in Nickel‐Catalysed Suzuki–Miyaura Cross‐Coupling
Eur. J. of Inorganic Chemistry, 2017, 3, 581-586

B. Visser, P. Bornhauser, M. Beck, G. Knopp, R. Marquardt, C. Gourlaouen, J. A. van Bokhoven, P. Radi
Re-Visiting the Electronic Energy Map of the Copper Dimer by Double-Resonant Four-Wave Mixing
72nd International Symposium on Molecular Spectroscopy: June 19-23, 2017 at The University of Illinois at Urbana-Champaign, doi:10.15278/isms.2017.WK04

M. Berville, S. Choua, C. Gourlaouen, C. Boudon, , L. Ruhlmann, C. Bailly, S. Cobo, E. Saint‐Aman, J. Wytko, J. Weiss
Flexible Viologen Cyclophanes: Odd/Even Effects on Intramolecular Interactions
ChemPhysChem, 2017, 18, 7, 796-803, download

D. Specklin, F. Hild, C. Fliedel, C. Gourlaouen, L. F. Veiros, S. Dagorne
Accessing Two‐Coordinate ZnII Organocations by NHC Coordination: Synthesis, Structure, and Use as π‐Lewis Acids in Alkene, Alkyne, and CO2 Hydrosilylation
Chemistry A European Journal, 2017, 23, 63, 15908-15912, download

B. Visser, M. Beck, P. Bornhauser, G. Knopp, J. A. van Bokhoven, R. Marquardt, C. Goulaouen, and P. P. Radi
Identification of a new low energy 1u state in dicopper with resonant four-wave mixing
J. Chem. Phys., 2017, 147:214308, doi:10.1063/1.5006107

P. Ai, C. Gourlaouen, A. Danopoulos, P. Braunstein
Novel di- and trinuclear palladium complexes supported by N,N'-diphosphanyl NHC ligands and N,N'-diphosphanylimidazolium palladium, gold, and mixed-metal copper-gold complexes
Inorg. Chem., 2016, 55, 1219-1229

P.-T. Skowron, J.-V. Naubron, F. Fotiadu, M. Dumartin, E. Jeamet, F. Perret, A. Baudouin, B. Fenet, J. Leclaire, C. Gourlaouen
On-demand cyclophanes: substituent-directed self-assembling, folding, and binding
J. Org. Chem., 2016, 81, 654-661

S. Vela, C. Gourlaouen, M. Fumanal, J. Ribas-Arino
Disclosing the Ligand- and Solvent-Induced Changes on the Spin Transition and Optical Properties of Fe(II)-Indazolylpyridine Complexes Magnetochemistry, 2016, 2, 6 :41 DOI 10.3390/magnetochemistry2010006

P. Bornhauser,R. Marquardt, C. Gourlaouen, G. Knopp, M. Beck, T. Gerber, J. A. van Bokhoven, P. P. Radi
Perturbation-facilitated detection of the first quintet-quintet band in C2
J. Chem. Phys., 2015, 142(9):094313

J. Eng, C. Gourlaouen, E. Gindensperger, C. Daniel
Spin-vibronic quantum dynamics for ultrafast excited-state processes
Account of Chemical Research, 2015, 48 (3), 809-817

C. Gourlaouen, J. Eng, M. Otsuka, E. Gindensperger, C. Daniel
A quantum chemical interpretation of ultrafast luminescence decay and intersystem crossings in rhenium(I) carbonyl bipyridine complexes
J. Chem. Theo. Comp., 2015, 11(1), 99-110

M. Teci, E. Brenner, D. Matt, C. Gourlaouen, L. Toupet
“Hummingbird” behaviour of N-heterocyclic carbenes stabilises out-of-plane bonding of AuCl and CuCl units
Chem. Eur. J., 2015, 21, 10997-11000

M. Teci, E. Brenner, D. Matt, C. Gourlaouen, L. Toupet
N-Alkylfluorenyl-substituted N-heterocyclic carbenes as bimodal pincers
Dalton Trans., 2015, 44, 9260-9268

A. Marjolin, C. Gourlaouen, C. Clavaguera, P. Ren, J.-P. Piquemal, J.-P. Dognon
Hydration gibbs free energies of open and closed shell trivalent lanthanide and actinide cations from polarizable molecular dynamics
J. Mol. Mod., 2014, 20, 1-7

M. Teci, E. Brenner, D. Matt, C. Gourlaouen, L. Toupet
irectional properties of fluorenylidene moieties in unsymmetrically substituted N-heterocyclic carbenes. Unexpected CH activation of a methylfluorenyl group with palladium. Use in palladium catalysed Suzuki-Miyaura cross coupling of aryl chlorides
Dalton Trans., 2014, 43, 12251- 12262

S. Zhang, R. Pattacini, P. Braunstein, L. De Cola, E. Plummer, M. Mauro, C. Gourlaouen, C. Daniel
Synthesis, structure, and optical properties of Pt(II) and Pd(II) complexes with oxazolyl- and pyridyl-functionalized DPPM-type ligands : a combined experimental and theoretical study
Inorg. Chem., 2014, 53, 12739-12756

C. Gourlaouen, C. Daniel
Spin-orbit effects in square-planar Pt(II) complexes with bidentate and terdentate ligands: theoretical absorption/emission spectroscopy
Dalton Trans., 2014, 43, 17806-17819

T. Véry, D. Ambrosek, M. Otsuka, C. Gourlaouen, X. Assfeld, A. Monari, C. Daniel
Photophysical properties of Ru(II) polypyridyl DNA interlacators: effects of the molecular surroundings
Chem. Eur. J., 2014, 20, 12901-12910

C. Gourlaouen, C. Daniel, F. Durola, J. Frey, V. Heitz, J.-P. Sauvage, B. Ventura, L. Flamigni
NIR dual luminescence from an extended porphyrin: spectroscopy, photophysics and theory
J. Phys. Chem. A, 2014, 118, 3616-3624

S. Finck, J-T. Issenhuth, S. Despax, C. Sirlin, M. Pfeffer, C. Poidevin, C. Gourlaouen, A. Boeglin, C. Daniel
Structural and optical properties of new cyclometalated Ru (II) derived compounds
J. Organo. Chem., 2013, 760, 248-259

C. Gourlaouen, C. Clavaguera, A. Marjolin, J.-P. Piquemal, J.-P. Dognon
Understanding the structure and electronic properties of Th4+-water complexes
Can. J. Chem., 2013, 91, 1D11

K. Monakhov, C. Gourlaouen, T. Zessin, G. Linti
Synthesis and crystal structure of a FeBi cluster compound with noncovalent low-valent Bi··πArene interactions
Inorg. Chem., 2013, 52, 6782-6784

A. Marjolin, C. Gourlaouen, C. Clavaguera, J.-P. Dognon, J.-P. Piquemal
Towards energy decomposition analysis for open and closed shell f-elements mono aqua complexes
Chem. Phys. Lett., 2013, 563, 25-29

F. Hild, N. Neehaul, F. Bier, M. Wirsum, C. Gourlaouen, S. Dagorne
Synthesis and structural characterization of various N,O,N-chelated aluminum and gallium complexes for the efficient ROP of cyclic esters and carbonates: how do aluminum and gallium derivatives compare?
Organometallics, 2013, 32, 587-598

A. Chantzis, T. Very, C. Daniel, A. Monari, X. Assfeld
Theoretical evidence of photo-induced charge transfer from DNA to intercalated ruthenium (II) organometallic complexes
Chem. Phys. Lett., 2013, 578, 133-137

M. Atsumi, R. Lindh, L. González, C. Gourlaouen, C. Daniel
Ab initio and DFT analysis of the low-lying electronic states of metal dihalides: quantum chemical calculations on the neutral BrMCl (M= Cu, Ag, Au)
Phys. Chem. Chem. Phys., 2013, 15, 10151-10157

K. Monakhov, C. Gourlaouen, P. Braunstein
Stabilisation of a triply-bridging cyclopentadienyl ligand in a tetrapalladium cluster
Chem. Commun., 2012, 48, 8317-8319

K. Monakhov, C. Gourlaouen
On the insertion of ML2 (M = Ni, Pd, Pt; L = PH3) into the E–Bi Bond (E = C, Si, Ge, Sn, Pb) of a bicyclo[1.1.1]pentane motif: a case for a carbenoid-stabilized Bi(0) species?
Organometallics, 2012, 31, 4415-4428

A. Marjolin, C. Gourlaouen, C. Clavaguéra, P.Y. Ren , J.C. Wu, N. Gresh, J.-P. Dognon, J.-P. Piquemal
Toward accurate solvation dynamics of lanthanides and actinides in water using polarizable force fields: froms gas-phase energetics to hydration free energies
Theor. Chem. Acc., 2012, 131, 1198

Y.K. Monakhov, C. Gourlaouen, R. Pattacini, P. Braunstein
Heptabismuthate [bi(7)i(24)](3-): a main group element anderson-type structure and its relationships with the polyoxometalates
Inorg. Chem., 2012, 51 (3), 1562-1568

M. Besora, C. Gourlaouen, B. Yates, F. Maseras
Phosphine and solvent effects on oxidative addition of CH3Br to Pd(PR3) and Pd(PR3)2 complexes
Dalton Trans., 2011, 40, 11089-11094

C. Gourlaouen, O. Parisel, H. Gérard
Revisiting the holo- and hemidirected structural transition within the [Pb(CO)n]2+ model series using first-principles Molecular Dynamics
Dalton Trans., 2011, 40, 11282-11288

C. Gourlaouen, J.-P. Piquemal, T. Saue, O. Parisel
Revisiting the geometry of nd10 (n+1)s0 [M(H2O)] p+ complexes using four-component relativistic DFT calculations and scalar relativistic correlated CSOV energy decompositions (Mp+ = Cu+, Zn2+, Ag+, Cd2+, Au+, Hg2+)
J. Comp. Chem., 27, 142, 2006 Download

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