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Frédéric Gendron

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A Cu12 Metallacycle Assembled from Four C3-Symmetric Spin Frustrated Triangular Units

Basharat Ali , Grégoire David , Frédéric Gendron , Xiao-Lei Li , Olivier Cador
Magnetochemistry, 2023, 9 (5), pp.122. ⟨10.3390/magnetochemistry9050122⟩
Article dans une revue hal-04128303v1
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Near-infrared circular dichroism of the ytterbium DOTMA complex: an ab initio investigation

Frédéric Gendron , Maxime Grasser , Boris Le Guennic
Physical Chemistry Chemical Physics, 2022, 24 (9), pp.5404-5410. ⟨10.1039/d1cp01675j⟩
Article dans une revue hal-03594105v1
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Solid-state: Versus solution investigation of a luminescent chiral BINOL-derived bisphosphate single-molecule magnet

C.A. Mattei , V. Montigaud , Frédéric Gendron , S. Denis-Quanquin , V. Dorcet
Inorganic Chemistry Frontiers, 2021, 8 (4), pp.947-962. ⟨10.1039/d0qi01192d⟩
Article dans une revue hal-03164556v1
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Luminescence, chiroptical, magnetic and ab initio crystal-field characterizations of an enantiopure helicoidal Yb( iii ) complex

Frédéric Gendron , Sebastiano Di Pietro , Laura Abad Galán , François Riobé , Virginie Placide
Inorganic Chemistry Frontiers, 2021, 8 (4), pp.914-926. ⟨10.1039/D0QI01194K⟩
Article dans une revue hal-03010906v1
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Bis-Cyclooctatetraenyl Thulium(II): Highly Reducing Lanthanide Sandwich Single-Molecule Magnets

Jules Moutet , Jules Schleinitz , Leo La Droitte , Maxime Tricoire , Fabrice Pointillart
Angewandte Chemie International Edition, 2021, 60 (11), pp.6042-6046. ⟨10.1002/anie.202015428⟩
Article dans une revue hal-03163652v1
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Combined Experimental/Theoretical Study on the Luminescent Properties of Homoleptic/Heteroleptic Erbium(III) Anilate-Based 2D Coordination Polymers

Suchithra Ashoka Sahadevan , Fabio Manna , Alexandre Abhervé , Mariangela Oggianu , Noemi Monni
Inorganic Chemistry, 2021, 60 (23), pp.17765-17774. ⟨10.1021/acs.inorgchem.1c02386⟩
Article dans une revue hal-03452303v1
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Single-chain magnet behavior in a finite linear hexanuclear molecule

Felix Houard , Frédéric Gendron , Yan Suffren , Thierry Guizouarn , Vincent Dorcet
Chemical Science, 2021, 12 (31), pp.10613-10621. ⟨10.1039/d1sc02033a⟩
Article dans une revue hal-03331002v1
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Thiophene-Bipyridine Appended Diketopyrrolopyrrole Ligands and Platinum(II) Complexes

Alexandre Abhervé , Maurizio Mastropasqua Talamo , Sara Boi , Vincent Poupard , Frédéric Gendron
Inorganic Chemistry, 2021, 60 (10), pp.7351-7363. ⟨10.1021/acs.inorgchem.1c00534⟩
Article dans une revue hal-03223879v1
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A new class of Dy(III)-SIMs associated with a guanidine-based ligand

Basharat Ali , Xiao-Lei Li , Frédéric Gendron , Boris Le Guennic , Jinkui Tang
Dalton Transactions, 2021, 50 (15), pp.5146-5153. ⟨10.1039/d1dt00260k⟩
Article dans une revue hal-03193285v1
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Chiral Benzothiazole Monofluoroborate Featuring Chiroptical and Oxygen-Sensitizing Properties: Synthesis and Photophysical Studies

Omar Sadek , Laura Abad Galán , Frédéric Gendron , Bruno Baguenard , Stephan Guy
Journal of Organic Chemistry, 2021, 86 (86), pp.17. ⟨10.1021/acs.joc.1c00995⟩
Article dans une revue hal-03333839v1
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Solid-State Near-Infrared Circularly Polarized Luminescence from Chiral YbIII-Single-Molecule Magnet

Bertrand Lefeuvre , Carlo Andrea Mattei , Jessica Flores Gonzalez , Frédéric Gendron , Vincent Dorcet
Chemistry - A European Journal, 2021, 27 (26), pp.7362-7366. ⟨10.1002/chem.202100903⟩
Article dans une revue hal-03194354v1
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Size‐Controlled Hapticity Switching in [Ln(C9H9)(C8H8)] Sandwiches

Maxime Tricoire , Luca Münzfeld , Jules Moutet , Nolwenn Mahieu , Léo La Droitte
Chemistry - A European Journal, 2021, 27 (54), pp.13558 - 13567. ⟨10.1002/chem.202101599⟩
Article dans une revue hal-03380768v1
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Coordination-enhanced photochromism in dysprosium dinuclear complexes with photomodulated single-molecule magnet behavior

Lucie Norel , Kevin Bernot , Frédéric Gendron , Colin Gould , Thierry Roisnel
Chemistry Squared, 2020, 4, ⟨10.28954/2020.csq.08.001⟩
Article dans une revue hal-02934618v1
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Cis and trans linkage of spin frustrated copper triangles creating Cu6 clusters

Basharat Ali , Frédéric Gendron , Xiao-Lei Li , Boris Le Guennic , Jinkui Tang
Chemistry Squared, 2020, 4, pp.4. ⟨10.28954/2020.csq.10.001⟩
Article dans une revue hal-03015340v1
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Redox-Modulations of Photophysical and Single-molecule Magnet Properties in Ytterbium Complexes Involving Extended-TTF Triads

Jessica Flores Gonzalez , Frédéric Gendron , Vincent Dorcet , Fabrice Pointillart , François Riobé
Molecules, 2020, 25 (3), pp.492. ⟨10.3390/molecules25030492⟩
Article dans une revue hal-02472167v1
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Hysteresis Photomodulation via Single-Crystal-to-Single-Crystal Isomerization of a Photochromic Chain of Dysprosium Single-Molecule Magnets

Maher Hojorat , Hassan Al Sabea , Lucie Norel , Kevin Bernot , Thierry Roisnel
Journal of the American Chemical Society, 2020, 142 (2), pp.931-936. ⟨10.1021/jacs.9b10584⟩
Article dans une revue hal-02432642v1
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Chiral supramolecular nanotubes of single-chain magnets

Felix Houard , Quentin Evrard , Guillaume Calvez , Yan Suffren , Carole Daiguebonne
Angewandte Chemie International Edition, 2020, 59 (2), pp.780-784. ⟨10.1002/anie.201913019⟩
Article dans une revue hal-02364864v1
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Luminescence-Driven Electronic Structure Determination in a Textbook Dimeric Dy(III)-based Single Molecule Magnet

Djamila Guettas , Frédéric Gendron , Guglielmo Fernandez Garcia , François Riobé , Thierry Roisnel
Chemistry - A European Journal, 2020, 26 (19), pp.4389-4395. ⟨10.1002/chem.201905493⟩
Article dans une revue hal-02472163v1
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Electronic Properties of Poly-Yne Carbon Chains and Derivatives with Transition Metal End-Groups

Frederic Gendron , Thomas Groizard , Boris Le Guennic , Jean-Francois Halet
European Journal of Inorganic Chemistry, 2020, 2020 (8), pp.667-681. ⟨10.1002/ejic.201901112⟩
Article dans une revue hal-02498321v1
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Magnetic Coupling in the Ce(III) Dimer Ce-2(COT)(3)

Frédéric Gendron , Jochen Autschbach , Jean-Paul Malrieu , Hélène Bolvin
Inorganic Chemistry, 2019, 58 (1), pp.581-593. ⟨10.1021/acs.inorgchem.8b02771⟩
Article dans une revue hal-01997978v1
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A supramolecular chain of dimeric Dy single molecule magnets decorated with azobenzene ligands

Gang Huang , Xiaohui Yi , Frédéric Gendron , Boris Le Guennic , Thierry Guizouarn
Dalton Transactions, 2019, 48 (42), pp.16053-16061. ⟨10.1039/c9dt03540k⟩
Article dans une revue hal-02364866v1
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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

OpenMolcas: From Source Code to Insight

Ignacio Fdez. Galván , Morgane Vacher , Ali Alavi , Celestino Angeli , Francesco Aquilante
Journal of Chemical Theory and Computation, 2019, 15 (11), pp.5925-5964. ⟨10.1021/acs.jctc.9b00532⟩
Article dans une revue hal-02532225v1
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Ab Initio Study of Circular Dichroism and Circularly Polarized Luminescence of Spin-Allowed and Spin-Forbidden Transitions: From Organic Ketones to Lanthanide Complexes

Frédéric Gendron , Barry Moore Ii , Olivier Cador , Fabrice Pointillart , Jochen Autschbach
Journal of Chemical Theory and Computation, 2019, 15 (7), pp.4140-4155. ⟨10.1021/acs.jctc.9b00286⟩
Article dans une revue hal-02179645v1

Calculation of Dipole-Forbidden 5f Absorption Spectra of Uranium(V) Hexa-Halide Complexes

Yonaton Heit , Frédéric Gendron , Jochen Autschbach
Journal of Physical Chemistry Letters, 2018, 9 (4), pp.887-894. ⟨10.1021/acs.jpclett.7b03441⟩
Article dans une revue hal-02532243v1

Similar ligand–metal bonding for transition metals and actinides? 5f 1 U(C 7 H 7 ) 2 − versus 3d n metallocenes

Dumitru-Claudiu Sergentu , Frédéric Gendron , Jochen Autschbach
Chemical Science, 2018, 9 (29), pp.6292-6306. ⟨10.1039/C7SC05373H⟩
Article dans une revue hal-02532230v1

Low-Spin Fe(III) Macrocyclic Complexes of Imidazole-Appended 1,4,7-Triazacyclononane as Paramagnetic Probes

Pavel Tsitovich , Frédéric Gendron , Alexander Nazarenko , Brooke Livesay , Alejandra Lopez
Inorganic Chemistry, 2018, 57 (14), pp.8364-8374. ⟨10.1021/acs.inorgchem.8b01022⟩
Article dans une revue hal-02532232v1

Magnetic circular dichroism of UCl6− in the ligand-to-metal charge-transfer spectral region

Frédéric Gendron , Valérie E. Fleischauer , Thomas J. Duignan , Brian L. Scott , Matthias W. Löble
Physical Chemistry Chemical Physics, 2017, 19 (26), pp.17300-17313. ⟨10.1039/C7CP02572F⟩
Article dans une revue hal-01583939v1

Electronic Structure and Properties of Berkelium Iodates

Mark A. Silver , Samantha K. Cary , Alejandro J. Garza , Ryan E. Baumbach , Alexandra A. Arico
Journal of the American Chemical Society, 2017, 139 (38), pp.13361-13375. ⟨10.1021/jacs.7b05569⟩
Article dans une revue hal-01961162v1

Puzzling Lack of Temperature Dependence of the PuO 2 Magnetic Susceptibility Explained According to Ab Initio Wave Function Calculations

Frédéric Gendron , Jochen Autschbach
Journal of Physical Chemistry Letters, 2017, 8 (3), pp.673-678. ⟨10.1021/acs.jpclett.6b02968⟩
Article dans une revue hal-02532233v1

Ligand NMR Chemical Shift Calculations for Paramagnetic Metal Complexes: 5f 1 vs 5f 2 Actinides

Frédéric Gendron , Jochen Autschbach
Journal of Chemical Theory and Computation, 2016, 12 (11), pp.5309-5321. ⟨10.1021/acs.jctc.6b00462⟩
Article dans une revue hal-02532237v1

Nuclear Magnetic Resonance Measurements and Electronic Structure of Pu(IV) in [(Me) 4 N] 2 PuCl 6

Andrew Mounce , Hiroshi Yasuoka , Georgios Koutroulakis , Jeongseop Lee , Herman Cho
Inorganic Chemistry, 2016, 55 (17), pp.8371-8380. ⟨10.1021/acs.inorgchem.6b00735⟩
Article dans une revue hal-02532238v1

Structure and Bonding Investigation of Plutonium Peroxocarbonate Complexes Using Cerium Surrogates and Electronic Structure Modeling

Lucas Sweet , Jordan Corbey , Frédéric Gendron , Jochen Autschbach , Bruce Mcnamara
Inorganic Chemistry, 2016, 56 (2), pp.791-801. ⟨10.1021/acs.inorgchem.6b02235⟩
Article dans une revue hal-02532235v1

Assessing the exchange coupling in binuclear lanthanide(III) complexes and the slow relaxation of the magnetization in the antiferromagnetically coupled Dy2 derivative

Chun Y. Chow , Hélène Bolvin , Victoria E. Campbell , Régis Guillot , Jeff W. Kampf
Chemical Science, 2015, 6 (7), pp.4148-4159. ⟨10.1039/c5sc01029b⟩
Article dans une revue hal-01192827v1

Calculating NMR Chemical Shifts for Paramagnetic Metal Complexes from First-Principles

Frédéric Gendron , Kamal Sharkas , Jochen Autschbach
Journal of Physical Chemistry Letters, 2015, 6 (12), pp.2183-2188. ⟨10.1021/acs.jpclett.5b00932⟩
Article dans une revue hal-02532250v1

Single-ion 4f element magnetism: an ab-initio look at Ln(COT)2−

Frédéric Gendron , Benjamin Pritchard , Hélène Bolvin , Jochen Autschbach
Dalton Transactions, 2015, 44, pp.19886-19900. ⟨10.1039/C5DT02858B⟩
Article dans une revue hal-01377252v1

Magnetic Resonance Properties of Actinyl Carbonate Complexes and Plutonyl(VI)-tris-nitrate

Frédéric Gendron , Ben Pritchard , Hélène Bolvin , Jochen Autschbach
Inorganic Chemistry, 2014, 53 (16), pp.8577-8592. ⟨10.1021/ic501168a⟩
Article dans une revue hal-01071989v1

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

Frédéric Gendron , Boris Le Guennic , Jochen Autschbach
Inorganic Chemistry, 2014, 53 (24), pp.13174-13187. ⟨10.1021/ic502365h⟩
Article dans une revue hal-02532249v1

Synthesis and Properties of a Mixed-​Valence Compound with Single-​Step Tunneling and Multiple-​Step Hopping Behavior

Rim Makhoul , Yuki Kumamoto , Akira Miyazaki , Frederic Justaud , Frederic Gendron
European Journal of Inorganic Chemistry, 2014, 2014 (24), pp.3899-3911. ⟨10.1002/ejic.201402022⟩
Article dans une revue hal-01016872v1

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

Magnetic Properties and Electronic Structure of Neptunyl(VI) Complexes: Wavefunctions, Orbitals, and Crystal-Field Models

Frédéric Gendron , Dayán Páez Hernández , François-Paul Notter , Ben Pritchard , Hélène Bolvin
Chemistry - A European Journal, 2014, 20 (26), pp.7994-8011. ⟨10.1002/chem.201305039⟩
Article dans une revue hal-01071994v1

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

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

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

Oxidative Dimerization of Arylalkynyl-Ruthenium Complexes

Michael I. Bruce , Alexandre Burgun , Frédéric Gendron , Guillaume Grelaud , Jean-François Halet
Organometallics, 2011, 30 (10), pp.2861-2868. ⟨10.1021/om200213z⟩
Article dans une revue hal-00860379v1

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
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Complete Active Space Wavefunction-Based Analysis of Magnetization and Electronic Structure

Frédéric Gendron , Hélène Bolvin , Jochen Autschbach
Organometallic Magnets, 64, pp.355-390, 2019, Topics in Organometallic Chemistry, 978-3-030-26008-8. ⟨10.1007/3418_2018_6⟩
Chapitre d'ouvrage hal-02390719v1