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Performance of DFT functionals for calculating the second-order nonlinear optical properties of dipolar merocyanines

Laurie Lescos , Sebastian Sitkiewicz , Pierre Beaujean , Mireille Blanchard-Desce , Benoît Champagne , et al.
Physical Chemistry Chemical Physics, 2020, 22 (29), pp.16579-16594. ⟨10.1039/D0CP02992K⟩
Journal articles hal-03066215v1
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Diketo-Pyrrolo Pyrrole-Based Acceptor-Acceptor Copolymers with Deep HOMO and LUMO Levels Absorbing in the Near Infrared

Wissem Khelifi , Hussein Awada , Sylvie Blanc , Gilles Roche , Lionel Hirsch , et al.
Applied Sciences, 2022, 12, pp.4494. ⟨10.3390/app12094494⟩
Journal articles hal-03654909v1
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Dual-wavelength efficient two-photon photorelease of glycine by π-extended dipolar coumarins

Maxime Klausen , Victor Dubois , Guillaume Clermont , Claire Tonnelé , Frédéric Castet , et al.
Chemical Science, 2019, 10 (15), pp.4209-4219. ⟨10.1039/C9SC00148D⟩
Journal articles hal-02416878v1

Second-Order Nonlinear Optical Properties of Multiaddressable Indolinooxazolidine Derivatives: Joint Computational and Hyper-Rayleigh Scattering Investigations

Kornelia Pielak , Flavie Bondu , Lionel Sanguinet , Vincent Rodriguez , Benoît Champagne , et al.
Journal of Physical Chemistry C, 2017, 121 (3), pp.1851-1860. ⟨10.1021/acs.jpcc.6b11082⟩
Journal articles hal-02564485v1

Density functional theory calculations and vibrational circular dichroism of aromatic foldamers

L. Ducasse , Frédéric Castet , Alain Fritsch , Ivan Huc , Thierry Buffeteau
Journal of Physical Chemistry A, 2007, 111, pp.5092-5098
Journal articles hal-00170408v1

Nonlinear Optical Responses of Photoswitchable Donor–Acceptor Stenhouse Adducts

Simon Dubuis , Angela Dellai , Chloé Courdurié , Josianne Owona , Apostolos Kalafatis , et al.
Journal of the American Chemical Society, 2023, ⟨10.1021/jacs.3c02778⟩
Journal articles hal-04096766v1

Computational design of quadrupolar donor-acceptor-donor molecules with near-infrared light-harvesting capabilities

Katarzyna Brymora , Laurent Ducasse , Alexandre Delaure , Lionel Hirsch , Thibaut Jarrosson , et al.
Dyes and Pigments, 2017, 149, pp.882 - 892. ⟨10.1016/j.dyepig.2017.12.003⟩
Journal articles hal-01666823v1
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Bispericyclic Diels-Alder Dimerization of ortho-Quinols in Natural Product (Bio)Synthesis -Bioinspired Chemical 6-Step Synthesis of (+)-Maytenone

Philippe A Peixoto , Mourad El Assal , Isabelle Chataigner , Frédéric Castet , Anaëlle Cornu , et al.
Angewandte Chemie International Edition, In press
Journal articles hal-03374412v1
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Second-order nonlinear optical properties of Λ -shaped pyrazine derivatives

Frédéric Castet , Adrien Gillet , Filip Bureš , Aurélie Plaquet , Vincent Rodriguez , et al.
Dyes and Pigments, 2021, 184, pp.108850 -. ⟨10.1016/j.dyepig.2020.108850⟩
Journal articles hal-03492559v1

Optical Properties of Donor–Acceptor Conjugated Copolymers: A Computational Study

Alexis Fradon , Eric Cloutet , Georges Hadziioannou , Cyril Brochon , Frédéric Castet
Chemical Physics Letters, 2017, 678, pp.9-16. ⟨10.1016/j.cplett.2017.04.016⟩
Journal articles hal-01505581v1

Impact of van der Waals interactions on the structural and nonlinear optical properties of azobenzene switches

Carmelo Naim , Frédéric Castet , Eduard Matito
Physical Chemistry Chemical Physics, 2021, 23 (37), pp.21227-21239. ⟨10.1039/D1CP02500G⟩
Journal articles hal-03950162v1

Dynamical Behavior and Second Harmonic Generation Responses in Acido-Triggered Molecular Switches

Kornelia Pielak , Claire Tonnelé , Lionel Sanguinet , Elena Cariati , Stefania Righetto , et al.
Journal of Physical Chemistry C, 2018, 122 (45), pp.26160-26168. ⟨10.1021/acs.jpcc.8b08697⟩
Journal articles hal-02564573v1

Charge Dissociation at Interfaces between Discotic Liquid Crystals: The Surprising Role of Column Mismatch

Julien Idé , Raphaël Méreau , Laurent Ducasse , Frédéric Castet , Harald Bock , et al.
Journal of the American Chemical Society, 2014, 136, pp. 2911-2920. ⟨10.1021/ja4114769⟩
Journal articles hal-00997368v1

Linear and Nonlinear Optical Properties of Tricyanopropylidene-Based Merocyanine Dyes: Synergistic Experimental and Theoretical Investigations

Venkatakrishnan Parthasarathy , Ravindra Pandey , Puspendu Kumar Das , Frédéric Castet , Mireille Blanchard-Desce
ChemPhysChem, 2018, 19 (2), pp.187-197. ⟨10.1002/cphc.201701143⟩
Journal articles hal-02416866v1

Predicting the Second-Order Nonlinear Optical Responses of Organic Materials: The Role of Dynamics

Frédéric Castet , Claire Tonnelé , Luca Muccioli , Benoît Champagne
Accounts of Chemical Research, 2022, 55 (24), pp.3716-3726. ⟨10.1021/acs.accounts.2c00616⟩
Journal articles hal-03950166v1

Nitrile Substitution Effect on Triphenodioxazine-Based Materials for Liquid-Processed Air-Stable n-Type Organic Field Effect Transistors

Guillaume Gruntz , Lee Hyunbok , Lionel Hirsch , Frédéric Castet , Thierry Toupance , et al.
Advanced Electronic Materials, 2015, pp.1500072
Journal articles hal-01431872v1
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Unprecedented intramolecular cyclization in strongly dipolar extended merocyanine dyes: a route to novel dyes with improved transparency, nonlinear optical properties and thermal stability

Venkatakrishnan Parthasarathy , Frédéric Castet , Ravindra Pandey , Olivier Mongin , Puspendu Kumar Das , et al.
Dyes and Pigments, 2016, 130, pp.70-78. ⟨10.1016/j.dyepig.2016.03.008⟩
Journal articles hal-01286285v1

The role of H-bonds in the solid state organization of [1]benzothieno[3,2-b][1]benzothiophene (BTBT) structures: bis(hydroxy-hexyl)-BTBT, as a functional derivative offering efficient air stable organic field effect transistors (OFETs)

Gilles Roche , Yu-Tang Tsai , Simon Clevers , Damien Thuau , Frédéric Castet , et al.
Journal of Materials Chemistry C, 2016, 4 (28), pp.6742 - 6749. ⟨10.1039/C6TC01814A⟩
Journal articles hal-01729079v1
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Stealth Luminescent Organic Nanoparticles Made from Quadrupolar Dyes for Two-Photon Bioimaging: Effect of End-Groups and Core

Morgane Rosendale , Jonathan Daniel , Frédéric Castet , Paolo Pagano , Jean-Baptiste Verlhac , et al.
Molecules, 2022, 27 (7), pp.2230. ⟨10.3390/molecules27072230⟩
Journal articles hal-03638668v1

Multi-dimensional charge transport in supramolecular helical foldamer assemblies

Alejandro Méndez-Ardoy , Nagula Markandeya , Xuesong Li , Yu-Tang Tsai , Gilles Pécastaings , et al.
Chemical Science, 2017, 8 (10), pp.7251 - 7257. ⟨10.1039/c7sc03341a⟩
Journal articles hal-01938472v1
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Temperature-Dependent Structural Phase Transition in Rubrene Single Crystals: The Missing Piece from the Charge Mobility Puzzle?

Arie van Der Lee , Maurizio Polentarutti , Gilles Roche , Olivier Dautel , Guillaume Wantz , et al.
Journal of Physical Chemistry Letters, 2022, 13 (1), pp.406-411. ⟨10.1021/acs.jpclett.1c03221⟩
Journal articles hal-03515175v1
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Electrochemical and Spectroelectrochemical Behavior of a Tetracyanotriphenodioxazine in Solution and Thin-Films

Rita Meunier-Prest , Guillaume Gruntz , Frédéric Castet , Yohann Nicolas , Amélie Wannebroucq , et al.
ChemElectroChem, 2018, 5 (19), pp.2863-2872. ⟨10.1002/celc.201800646⟩
Journal articles hal-02296010v1

From organic superconductors to DNA: Fragment orbital-based model

Frédéric Castet , Laurent Ducasse , Alain Fritsch
International Journal of Quantum Chemistry, 2006, 106, pp.734-746. ⟨10.1002/qua.20838⟩
Journal articles istex hal-00103562v1
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Halochromic Switch from the 1st to 2nd Near-Infrared Window of Diazapentalene–Dithienosilole Copolymers

Wissem Khelifi , Hussein Awada , Katarzyna Brymora , Sylvie Blanc , Lionel Hirsch , et al.
Macromolecules, 2019, 52 (13), pp.4820-4827. ⟨10.1021/acs.macromol.9b00675⟩
Journal articles hal-02178217v1
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Optoelectronic properties of a self-assembling rigidly-linked BF2-curcuminoid bichromophore

Claire Tonnelé , Manon Catherin , Michel Giorgi , Gabriel Canard , David Casanova , et al.
Dyes and Pigments, 2022, 207, pp.110677. ⟨10.1016/j.dyepig.2022.110677⟩
Journal articles hal-03778198v1

Spectroscopic and theoretical investigations of phenolic acids in white wines

Coralie Martin , Jean-Luc Bruneel , Frédéric Castet , Alain Fritsch , Pierre Louis Teissedre , et al.
Food Chemistry, 2017, 221, pp.568-575. ⟨10.1016/j.foodchem.2016.11.137⟩
Journal articles hal-01606299v1

Acido-triggered switching of the second-order nonlinear optical properties of a ferrocenyl-containing indolino-oxazolidine derivative

Kornelia Pielak , Flavie Bondu , Lionel Sanguinet , Vincent Rodriguez , Frédéric Castet , et al.
Dyes and Pigments, 2019, 160, pp.641-646. ⟨10.1016/j.dyepig.2018.07.007⟩
Journal articles hal-02564626v1

Photophysics, Electrochemistry and Efficient Electrochemiluminescence of Trigonal Truxene‐Core Dyes

Silvia Voci , Jean‐baptiste Verlhac , Federico Polo , Guillaume Clermont , Jonathan Daniel , et al.
Chemistry - A European Journal, 2020, 26 (38), pp.8407-8416. ⟨10.1002/chem.202000474⟩
Journal articles hal-03066224v1
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Exciton Interactions, Excimer Formation, and [2π+2π] Photodimerization in Nonconjugated Curcuminoid‐BF 2 Dimers

Manon Catherin , Olatz F Uranga-Barandiaran , Arnaud Brosseau , Rémi Métivier , Gabriel Canard , et al.
Chemistry - A European Journal, 2020, 26 (17), pp.3818-3828. ⟨10.1002/chem.201905122⟩
Journal articles hal-02903478v1

Acido- and phototriggered NLO properties enhancement

Frédéric Castet , Benoît Champagne , Laurent Ducasse , Vincent Rodriguez , Lionel Sanguinet , et al.
Journal of Physical Chemistry B, 2005, 109, pp.1139-11150. ⟨10.1021/jp0442450⟩
Journal articles istex hal-00108427v1