The BioDyn team (Bio-photonics and ultrafast molecular Dynamics) develops experimental tools for femtosecond spectroscopy in the field of physical chemistry, to investigate the photoreactivity of (bio)organic or metal-organic molecules in the condensed phase. Typical processes of interest are photoreactions enabling photo-electric or photo-mechanical energy conversions at the molecular scale. Such photoreactions have applications in material science (e.g. photovoltaic devices, molecular switches, or motors), but they are also at work in biological systems (photosynthesis, vision). Among photoreactions of interest are (i) photoinduced charge transfer or (ii) ultrafast photo-isomerization reactions. The investigation of ultrafast photoreactions with fs laser pulses reveals the interplay between (coherent) electronic or vibrational dynamics and environmental effects, and how this interplay controls the photoreactions yield.
Besides, in the 3rd research axis called “biophotonics,” we explore physical chemistry at the interface between nanoscience and living matter. More specifically, we investigate the environment-sensitive photoreactivity of organic compounds that may be exploited to probe local interactions in biomolecules. We also investigate ultrafast excitation energy transfer reactions in functional, synthetic nanoparticles behaving like efficient light-harvesting antennas.
Research Activities
Position Open
- Openings: Post-doc in femtosecond XPS of bio-mimetic photoswitches (M/F). Link
- For Internship, PhD positions, and Postdoc positions, contact Stefan Haacke and Jeremie Leonard
Recent updates
- Ronan Viel won the 2nd place poster prize (100€) at the ITI QMat scientific day 2023. Congratulations!!!
- Ilias Nikolinakos received his Doctoral diploma at the PhD ceremony 2023, University of Strasbourg Congratulations!!!
Membres de l’équipe :
Doctorant, Optique Ultra-rapide et Nanophotonique (DON)hussain.althubyani@ipcms.unistra.fr
Tél: +33(0)3 88 10 71 94Bureau: 2405
Post-doctorant, Optique Ultra-rapide et Nanophotonique (DON)xingjie.fu@ipcms.unistra.fr
Tél: +33(0)3 88 10 70 89Bureau: 1028
Post-doctorante, Optique Ultra-rapide et Nanophotonique (DON)amira.gharbi@ipcms.unistra.fr
Tél: +33(0)3 88 10 71 63Bureau: 2052
Professeur, Optique Ultra-rapide et Nanophotonique (DON)Stefan.Haacke@ipcms.unistra.fr
Voir la page personnelleTél: +33(0)3 88 10 71 71, +33(0)3 88 10 70 54Bureau: 2029
Doctorante, Optique Ultra-rapide et Nanophotonique (DON)krystyna.herasymenko@etu.unistra.fr
Tél: +33(0)3 88 10 71 63Bureau: 2052
Post-doctorant, Optique Ultra-rapide et Nanophotonique (DON)mate.kurucz@ipcms.unistra.fr
Tél: /Bureau: 2109
Directeur de Recherche, Optique Ultra-rapide et Nanophotonique (DON)Jeremie.Leonard@ipcms.unistra.fr
Voir la page personnelleTél: +33(0)3 88 10 72 43, +33(0)3 88 10 70 54Bureau: 2042
Doctorant, Optique Ultra-rapide et Nanophotonique (DON)thomas.meric@ipcms.unistra.fr
Tél: /Bureau: 2109
Doctorant, Optique Ultra-rapide et Nanophotonique (DON)matthew.mgbukwu@ipcms.unistra.fr
Tél: +33(0)3 88 10 71 63Bureau: 2052
Doctorant, Optique Ultra-rapide et Nanophotonique (DON)simon.rinconcelis@ipcms.unistra.fr
Tél: /Bureau: 2109
Doctorant, Optique Ultra-rapide et Nanophotonique (DON)ronan.viel@ipcms.unistra.fr
Tél: +33(0)3 88 10 71 63Bureau: 2052
Publications récentes :
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[1]
T. Baron, W. Naim, I. Nikolinakos, B. Andrin, Y. Pellegrin, D. Jacquemin, S. Haacke, F. Sauvage, F. Odobel, Transparent and Colorless Dye-Sensitized Solar Cells Based on Pyrrolopyrrole Cyanine Sensitizers, Angewandte Chemie-International Edition 61 (2022) e202207459. https://doi.org/10.1002/anie.202207459.
[1]
A. Brion, J. Chaud, J. Léonard, F. Bolze, S. Chassaing, B. Frisch, B. Heurtault, A. Kichler, A. Specht, Red Light-Responsive Upconverting Nanoparticles for Quantitative and Controlled Release of a Coumarin-Based Prodrug., Advanced Healthcare Materials Early access (2022) e2201474–e2201474. https://doi.org/10.1002/adhm.202201474.
[1]
C. Cebrían, M. Pastore, A. Monari, X. Assfeld, P.C. Gros, S. Haacke, Ultrafast Spectroscopy of Fe(II) Complexes Designed for Solar Energy Conversion: Current Status and Open Questions, ChemPhysChem 23 (2022) e202100659. https://doi.org/https://doi.org/10.1002/cphc.202100659.
[1]
G. Fanciullo, I. Conti, P. Didier, A. Klymchenko, J. Léonard, M. Garavelli, I. Rivalta, Modelling quenching mechanisms of disordered molecular systems in the presence of molecular aggregates, Physical Chemistry Chemical Physics 24 (2022) 1787–1794. https://doi.org/10.1039/d1cp04260b.
[1]
M. Filatov Gulak, M. Paolino, R. Pierron, A. Cappelli, G. Giorgi, J. Léonard, M. Huix-Rotllant, N. Ferre, X. Yang, D. Kaliakin, A. Blanco-Gonzalez, M. Olivucci, Towards the engineering of a photon-only two-stroke rotary molecular motor., Nature Communications 13 (2022) 6433. https://doi.org/10.1038/s41467-022-33695-x.
[1]
M. Filatov Gulak, M. Paolino, R. Pierron, A. Cappelli, G. Giorgi, J. Léonard, M. Huix-Rotllant, N. Ferre, X. Yang, D. Kaliakin, A. Blanco-Gonzalez, M. Olivucci, Author Correction: Towards the engineering of a photon-only two-stroke rotary molecular motor., Nature Communications 13 (2022) 7541–7541. https://doi.org/10.1038/s41467-022-35006-w.
[1]
K. Magra, A. Frances-Monerris, C. Cebrian, A. Monari, S. Haacke, P.C. Gros, Bidentate Pyridyl-NHC Ligands: Synthesis, Ground and Excited State Properties of Their Iron(II) Complexes and the Role of the fac/mer Isomerism, European Journal of Inorganic Chemistry 2022 (2022) e202100818. https://doi.org/10.1002/ejic.202100818.
[1]
A.R. Marri, B. Marekha, T. Penfold, S. Haacke, P.C. Gros, Towards panchromatic Fe(ii) NHC sensitizers via HOMO inversion, Inorganic Chemistry Frontiers Early access (2022). https://doi.org/10.1039/D2QI01903E.
[1]
M. Paolino, M. Saletti, A. Reale, M. Licciardi, P. Varvara, A. Marquette, J. Léonard, C. Bonechi, A. Donati, G. Giorgi, G. Giuliani, B. Carlotti, F. Ortica, L. Latterini, M. Gentile, E. Paccagnini, M. Olivucci, A. Cappelli, Design, Synthesis and Characterization of a New Visible Light-Sensitive Molecular Switch and its PEGylation Towards a Self-Assembling Molecule., Chemistry-a European Journal 28 (2022) e202201477. https://doi.org/10.1002/chem.202201477.
[1]
X. Yang, M. Manathunga, S. Gozem, J. Léonard, T. Andruniów, M. Olivucci, Quantum–classical simulations of rhodopsin reveal excited-state population splitting and its effects on quantum efficiency, Nature Chemistry 14 (2022) 441–449. https://doi.org/10.1038/s41557-022-00892-6.