Frédéric Gendron

Maher Hojorat, Hassan Al Sabea, Lucie Norel, Kevin Bernot, Thierry Roisnel, et al.. Hysteresis Photomodulation via Single-Crystal-to-Single-Crystal Isomerization of a Photochromic Chain of Dysprosium Single-Molecule Magnets. Journal of the American Chemical Society, American Chemical Society, 2020, 142 (2), pp.931-936. ⟨10.1021/jacs.9b10584⟩. ⟨hal-02432642⟩

Basharat Ali, Frédéric Gendron, Xiao-Lei Li, Boris Le Guennic, Jinkui Tang. Cis and trans linkage of spin frustrated copper triangles creating Cu6 clusters. Chemistry Squared - Chem2, Science2, 2020, 4, pp.4. ⟨10.28954/2020.csq.10.001⟩. ⟨hal-03015340⟩

Frédéric Gendron, Sebastiano Di Pietro, Laura Abad Galán, François Riobé, Virginie Placide, et al.. Luminescence, chiroptical, magnetic and ab initio crystal-field characterizations of an enantiopure helicoidal Yb( iii ) complex. Inorganic Chemistry Frontiers, Royal Society of Chemistry, 2020, ⟨10.1039/D0QI01194K⟩. ⟨hal-03010906⟩

Jessica Flores Gonzalez, Frédéric Gendron, Vincent Dorcet, Fabrice Pointillart, François Riobé, et al.. Redox-Modulations of Photophysical and Single-molecule Magnet Properties in Ytterbium Complexes Involving Extended-TTF Triads. Molecules, MDPI, 2020, 25 (3), pp.492. ⟨10.3390/molecules25030492⟩. ⟨hal-02472167⟩

Lucie Norel, Kevin Bernot, Frédéric Gendron, Colin Gould, Thierry Roisnel, et al.. Coordination-enhanced photochromism in dysprosium dinuclear complexes with photomodulated single-molecule magnet behavior. Chemistry Squared - Chem2, Science2, 2020, 4, ⟨10.28954/2020.csq.08.001⟩. ⟨hal-02934618⟩

Felix Houard, Quentin Evrard, Guillaume Calvez, Yan Suffren, Carole Daiguebonne, et al.. Chiral supramolecular nanotubes of single-chain magnets. Angewandte Chemie International Edition, Wiley-VCH Verlag, 2020, 59 (2), pp.780-784. ⟨10.1002/anie.201913019⟩. ⟨hal-02364864⟩

Frederic Gendron, Thomas Groizard, Boris Le Guennic, Jean-Francois Halet. Electronic Properties of Poly-Yne Carbon Chains and Derivatives with Transition Metal End-Groups. European Journal of Inorganic Chemistry, Wiley-VCH Verlag, 2020, 2020 (8), pp.667-681. ⟨10.1002/ejic.201901112⟩. ⟨hal-02498321⟩

Djamila Guettas, Frédéric Gendron, Guglielmo Fernandez Garcia, François Riobé, Thierry Roisnel, et al.. Luminescence-Driven Electronic Structure Determination in a Textbook Dimeric Dy(III)-based Single Molecule Magnet. Chemistry - A European Journal, Wiley-VCH Verlag, 2020, 26 (19), pp.4389-4395. ⟨10.1002/chem.201905493⟩. ⟨hal-02472163⟩

Ignacio Fdez. Galván, Morgane Vacher, Ali Alavi, Celestino Angeli, Francesco Aquilante, et al.. OpenMolcas: From Source Code to Insight. Journal of Chemical Theory and Computation, American Chemical Society, 2019, 15 (11), pp.5925-5964. ⟨10.1021/acs.jctc.9b00532⟩. ⟨hal-02532225⟩

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⟩

Frédéric Gendron, Barry Moore Ii, Olivier Cador, Fabrice Pointillart, Jochen Autschbach, et al.. Ab Initio Study of Circular Dichroism and Circularly Polarized Luminescence of Spin-Allowed and Spin-Forbidden Transitions: From Organic Ketones to Lanthanide Complexes. Journal of Chemical Theory and Computation, American Chemical Society, 2019, 15 (7), pp.4140-4155. ⟨10.1021/acs.jctc.9b00286⟩. ⟨hal-02179645⟩

Frédéric Gendron, Jochen Autschbach, Jean-Paul Malrieu, Hélène Bolvin. Magnetic Coupling in the Ce(III) Dimer Ce-2(COT)(3). Inorganic Chemistry, American Chemical Society, 2019, 58 (1), pp.581-593. ⟨10.1021/acs.inorgchem.8b02771⟩. ⟨hal-01997978⟩

Gang Huang, Xiaohui Yi, Frederic Gendron, Boris Le Guennic, Thierry Guizouarn, et al.. A supramolecular chain of dimeric Dy single molecule magnets decorated with azobenzene ligands. Dalton Transactions, Royal Society of Chemistry, 2019, 48 (42), pp.16053-16061. ⟨10.1039/c9dt03540k⟩. ⟨hal-02364866⟩

Pavel Tsitovich, Frédéric Gendron, Alexander Nazarenko, Brooke Livesay, Alejandra Lopez, et al.. Low-Spin Fe(III) Macrocyclic Complexes of Imidazole-Appended 1,4,7-Triazacyclononane as Paramagnetic Probes. Inorganic Chemistry, American Chemical Society, 2018, 57 (14), pp.8364-8374. ⟨10.1021/acs.inorgchem.8b01022⟩. ⟨hal-02532232⟩

Yonaton Heit, Frédéric Gendron, Jochen Autschbach. Calculation of Dipole-Forbidden 5f Absorption Spectra of Uranium(V) Hexa-Halide Complexes. Journal of Physical Chemistry Letters, American Chemical Society, 2018, 9 (4), pp.887-894. ⟨10.1021/acs.jpclett.7b03441⟩. ⟨hal-02532243⟩

Dumitru-Claudiu Sergentu, Frédéric Gendron, Jochen Autschbach. Similar ligand–metal bonding for transition metals and actinides? 5f 1 U(C 7 H 7 ) 2 − versus 3d n metallocenes. Chemical Science , The Royal Society of Chemistry, 2018, 9 (29), pp.6292-6306. ⟨10.1039/C7SC05373H⟩. ⟨hal-02532230⟩

Mark A. Silver, Samantha K. Cary, Alejandro J. Garza, Ryan E. Baumbach, Alexandra A. Arico, et al.. Electronic Structure and Properties of Berkelium Iodates. Journal of the American Chemical Society, American Chemical Society, 2017, 139 (38), pp.13361--13375. ⟨hal-01961162⟩

Frédéric Gendron, Jochen Autschbach. Puzzling Lack of Temperature Dependence of the PuO 2 Magnetic Susceptibility Explained According to Ab Initio Wave Function Calculations. Journal of Physical Chemistry Letters, American Chemical Society, 2017, 8 (3), pp.673-678. ⟨10.1021/acs.jpclett.6b02968⟩. ⟨hal-02532233⟩

Frédéric Gendron, Valérie Fleischauer, Thomas Duignan, Brian Scott, Matthias Löble, et al.. Magnetic circular dichroism of UCl6− in the ligand-to-metal charge-transfer spectral region. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2017, 19 (26), pp.17300-17313. ⟨10.1039/C7CP02572F⟩. ⟨hal-01583939⟩

Frédéric Gendron, Jochen Autschbach. Ligand NMR Chemical Shift Calculations for Paramagnetic Metal Complexes: 5f 1 vs 5f 2 Actinides. Journal of Chemical Theory and Computation, American Chemical Society, 2016, 12 (11), pp.5309-5321. ⟨10.1021/acs.jctc.6b00462⟩. ⟨hal-02532237⟩

Lucas Sweet, Jordan Corbey, Frédéric Gendron, Jochen Autschbach, Bruce Mcnamara, et al.. Structure and Bonding Investigation of Plutonium Peroxocarbonate Complexes Using Cerium Surrogates and Electronic Structure Modeling. Inorganic Chemistry, American Chemical Society, 2016, 56 (2), pp.791-801. ⟨10.1021/acs.inorgchem.6b02235⟩. ⟨hal-02532235⟩

Andrew Mounce, Hiroshi Yasuoka, Georgios Koutroulakis, Jeongseop Lee, Herman Cho, et al.. Nuclear Magnetic Resonance Measurements and Electronic Structure of Pu(IV) in [(Me) 4 N] 2 PuCl 6. Inorganic Chemistry, American Chemical Society, 2016, 55 (17), pp.8371-8380. ⟨10.1021/acs.inorgchem.6b00735⟩. ⟨hal-02532238⟩

Frédéric Gendron, Benjamin Pritchard, Hélène Bolvin, Jochen Autschbach. Single-ion 4f element magnetism: an ab-initio look at Ln(COT)2−. Dalton Transactions, Royal Society of Chemistry, 2015, 44, pp.19886-19900. ⟨10.1039/C5DT02858B⟩. ⟨hal-01377252⟩

Chun Y. Chow, Hélène Bolvin, Victoria E. Campbell, Régis Guillot, Jeff W. Kampf, et al.. Assessing the exchange coupling in binuclear lanthanide(III) complexes and the slow relaxation of the magnetization in the antiferromagnetically coupled Dy2 derivative. Chemical Science , The Royal Society of Chemistry, 2015, 6 (7), pp.4148-4159. ⟨10.1039/c5sc01029b⟩. ⟨hal-01192827⟩

Frédéric Gendron, Kamal Sharkas, Jochen Autschbach. Calculating NMR Chemical Shifts for Paramagnetic Metal Complexes from First-Principles. Journal of Physical Chemistry Letters, American Chemical Society, 2015, 6 (12), pp.2183-2188. ⟨10.1021/acs.jpclett.5b00932⟩. ⟨hal-02532250⟩

Frédéric Gendron, Kamal Sharkas, Jochen Autschbach. Calculating NMR Chemical Shifts for Paramagnetic Metal Complexes from First-Principles. Journal of Physical Chemistry Letters, American Chemical Society, 2015, 6 (12), pp.2183-2188. ⟨10.1021/acs.jpclett.5b00932⟩. ⟨hal-02532241⟩

Frédéric Gendron, Ben Pritchard, Hélène Bolvin, Jochen Autschbach. Magnetic Resonance Properties of Actinyl Carbonate Complexes and Plutonyl(VI)-tris-nitrate. Inorganic Chemistry, American Chemical Society, 2014, 53 (16), pp.8577-8592. ⟨10.1021/ic501168a⟩. ⟨hal-01071989⟩

Frédéric Gendron, Dayán Páez Hernández, François-Paul Notter, Ben Pritchard, Hélène Bolvin, et al.. Magnetic Properties and Electronic Structure of Neptunyl(VI) Complexes: Wavefunctions, Orbitals, and Crystal-Field Models. Chemistry - A European Journal, Wiley-VCH Verlag, 2014, 20 (26), pp.7994-8011. ⟨10.1002/chem.201305039⟩. ⟨hal-01071994⟩

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⟩

Frédéric Gendron, Boris Le Guennic, Jochen Autschbach. Magnetic Properties and Electronic Structures of Ar 3 U IV –L Complexes with Ar = C 5 (CH 3 ) 4 H – or C 5 H 5 – and L = CH 3 , NO, and Cl. Inorganic Chemistry, American Chemical Society, 2014, 53 (24), pp.13174-13187. ⟨10.1021/ic502365h⟩. ⟨hal-02532249⟩

Rim Makhoul, Yuki Kumamoto, Akira Miyazaki, Frederic Justaud, Frederic Gendron, et al.. Synthesis and Properties of a Mixed-​Valence Compound with Single-​Step Tunneling and Multiple-​Step Hopping Behavior. European Journal of Inorganic Chemistry, Wiley-VCH Verlag, 2014, 2014 (24), pp.3899-3911. ⟨10.1002/ejic.201402022⟩. ⟨hal-01016872⟩

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⟩

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⟩

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⟩

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⟩

Michael I. Bruce, Alexandre Burgun, Frédéric Gendron, Guillaume Grelaud, Jean-François Halet, et al.. Oxidative Dimerization of Arylalkynyl-Ruthenium Complexes. Organometallics, American Chemical Society, 2011, 30 (10), pp.2861-2868. ⟨10.1021/om200213z⟩. ⟨hal-00860379⟩

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 Gendron, H. Bolvin, Jochen Autschbach. Complete Active Space Wavefunction-Based Analysis of Magnetization and Electronic Structure. Organometallic Magnets, 64, pp.355-390, 2019, Topics in Organometallic Chemistry, 978-3-030-26008-8. ⟨10.1007/3418_2018_6⟩. ⟨hal-02390719⟩