LAboratoire de Spectrochimie Infrarouge et Raman – UMR 8516
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Photophysics, reactivity and functionality

Head: O. Poizat

Permanent staff: S. Aloïse , M. Barj , J. Berthet , A. Bouchet , G. Buntinx , V. De Waele , S. Delbaere , O. Devos , M. Hureau , A. Idrissi , F.A. Miannay , A. Moissette , C. Ruckebusch , M. Sliwa , K. Smirnov

PhDs: J. Ashina , T. Cremoux , L. Duplouy , C. Guerrin , I. Hamdi , S. Hugelier , V. Koverga , M. Louati , Y. Smortsova , A. Khartchenko , E. Vorobyev

Post-docts: M.T. Do , R. Vitale

Visiting researchers: Pr. J. Abe, Pr. J. Hofkens, Dr. V. Spiwok, Dr. S. Ari, Pr. T. Toshioyuki, Pr. H. Miyasaka, Pr. Kalugin, Pr. R.D. Oparin, Pr. M. Takeshita

The research team associates complementary skills and competences to develop fundamental investigations of intermolecular interactions and reaction dynamics at the molecular level. We take advantage of this expertise to investigate the properties and reactivity of a variety of systems in different environments (solution, complexing or confined environment, supramolecular architecture, thin film, nanoparticle, supercritical fluids, ionic liquids). Although characterized by a rather fundamental approach, the research conducted by the team has the overall ambition to attain an understanding of the functionality of photoactivable chemical systems designed for specific applications (e.g., light-activated molecules for applications in photonics, opto-electronics or bioimagery, nanoporous matrices for heterogeneous catalysis or photovoltaic conversion, nanosensors).

The activity is organized along two lines of research:

Fundamental photophysics and photochemistry of photo-functional molecules and molecular assemblies
Molecular confinement and photo-controlled reactivity in porous media

The experimental approach is based primarily on spectroscopy. The team has acquired a very high level of skills and expertise in the field of the development of innovative approaches and techniques, particularly in two areas: time-resolved vibrational (Raman scattering, IR absorption) and electronic (UV-Vis absorption/diffuse reflection, stimulated emission) spectroscopies, and ultrafast high-resolution fluorescence microscopy.

Wherever possible, the interpretation of experimental data is supported by modeling using advanced molecular dynamics and quantum-chemical calculation methods. Also, the development of new analytical tools based on chemometrics for the processing of complex spectro-kinetic, spatio-kinetic, and spatial-spectral data is more and more systematically associated with experimental spectroscopic measurements to provide rigorous and robust descriptions of the studied photo-processes and fluorescence micro- and nano-imaging.

Funding since 2011

• GDRI – IRG PHENICS (Photo-switchable organic molecular systems & devices)
• GDR UP (Ultrafast Photochemistry)
• GDR MCM-2 (Magnetism and molecular switching)
• 9 PHC (Hubert Curien partnership)
• 2 PRC (joint research project)
• 1 PMC (Marie-Curie Program)
• 1 HFSP (Human Frontier Science Program)
• 3 PICS (International Programs for Scientific Cooperation)
• 10 ANR fundings
• 1 contrat CNRS-JSPS agreement (French – Japan joint project)
• 1 IFPEN research agreement


Team publications

34 Publications for the year

P  2017-1 - Solvation dynamics and rotation of coumarin 153 in a new ionic liquid/molecular solvent mixture model: [BMIM][TFSI]/propylene carbonate
Y. Smortsova, F.A. Miannay, H. Oher, B. Marekha, J. Dubois, M. Sliwa, O. Kalugin, A. Idrissi
J Mol Liq 226 (2017) 48 - 55

P  2017-2 - A multivariate curve resolution approach to separate UV–vis scattering and absorption contributions for organic nanoparticles
B. Debus, R. Vitale, S. Sasaki, T. Asahi, M. Sliwa, C. Ruckebusch
Chemometr. Intelligent Lab. Syst. 160 (2017) 72 - 76

P  2017-3 - Multivariate statistical process control (MSPC) using Raman spectroscopy for in-line culture cell monitoring considering time-varying batches synchronized with correlation optimized warping (COW)
Y.J. Liu, S. André, L. Saint Cristau, S. Lagresle, Z. Hannas, E. Calvosa, O. Devos, L. Duponchel
Anal. Chim. Acta 952 (2017) 9 - 17

P  2017-4 - 13 metastable states arising from a simple multifunctional unimolecular system
L. Sanguinet, J. Berthet, G. Szalóki, O. Alévêque, J.L. Pozzo, S. Delbaere
Dyes Pigm. 137 (2017) 490 - 498

P  2017-5 - A closer look at the photochromism of vinylidene-naphthofurans
C.M. Sousa, J. Berthet, S. Delbaere, P.J. Coelho
Dyes Pigm. 137 (2017) 593 - 600

P  2017-6 - Regio- and stereoselective [2+2] photocycloaddition in Ba2+ templated supramolecular dimers of styryl-derivatized aza-heterocycles
D. Berdnikova, T. Aliyeu, S. Delbaere, Y. Fedorov, G. Jonusauskas, V. Novikov, A. Pavlov, A. Peregudov, N. Shepel', F. Zubkov, O. Fedorova
Dyes Pigm. 139 (2017) 397 - 402

P  2017-7 - AIE phenomena of a cyanostilbene derivative as a probe of molecular assembly processes
F. Ito, J.I. Fujimori, N. Oka, M. Sliwa, C. Ruckebusch, S. Ito, H. Miyasaka
Faraday Discuss. 196 (2017) 231 - 243

P  2017-8 - A molecular dynamics study of the interaction of water with the external surface of silicalite-1
K.S. Smirnov
Phys. Chem. Chem. Phys. 19 (2017) 2950 - 2960

P  2017-9 - A new potential model for acetonitrile: Insight into the local structure organization
V. Koverga, O. Korsun, O. Kalugin, B. Marekha, A. Idrissi
J Mol Liq 233 (2017) 251 - 261

P  2017-10 - ATR-IR spectroscopic observation on intermolecular interactions in mixtures of imidazolium-based ionic liquids CnmimTFSA (n = 2–12) with DMSO
B. Marekha, K. Sonoda, T. Uchida, T. Tokuda, A. Idrissi, T. Takamuku
J Mol Liq 232 (2017) 431 - 439

P  2017-11 - Competition between cation–solvent and cation–anion interactions in imidazolium ionic liquids with polar aprotic solvents
B. Marekha, O. Kalugin, M. Bria, T. Takamuku, S. Gadžuric, A. Idrissi
ChemPhysChem 18 (2017) 718 - 721

P  2017-12 - Improved superresolution microscopy imaging by sparse deconvolution with an interframe penalty
S. Hugelier, P.H.C. Eilers, O. Devos, C. Ruckebusch
J. Chemometr. 31 (2017) 1 - 9

P  2017-13 - Introduction to the special issue of the Journal of Molecular Liquids “Supercritical fluids. Theory and applications” dedicated to Prof. Yu. E. Gorbaty
A. Idrissi, M. Kiselev, A. Kalinichev
J Mol Liq 239 (2017) 1 - 2

P  2017-14 - The local structure of sub- and supercritical water as studied by FTIR spectroscopy and molecular dynamics simulations
F. Lafrad, T. Tassaing, M. Kiselev, A. Idrissi
J Mol Liq 239 (2017) 61 - 67

P  2017-15 - Screening of conformational polymorphism of ibuprofen in supercritical CO2
R. Oparin, D. Ivlev, A. Vorobei, A. Idrissi, M. Kiselev
J Mol Liq 239 (2017) 49 - 60

P  2017-16 - Local structure of dilute aqueous DMSO solutions, as seen from molecular dynamics simulations
A. Idrissi, B. Marekha, M. Barj, F.A. Miannay, T. Takamuku, V. Raptis, J. Samios, P. Jedlovszky
J Chem Phys 146 (2017) 234507-1 - 234507-12

P  2017-17 - Raman transduction for polymeric ion-selective sensor membranes: Proof of concept study
J. Ashina, D. Kirsanov, M. Moreau, V. Koverga, K. Mikhelson, C. Ruckebusch, A. Legin
Sens Actuators, B Chem 253 (2017) 697 - 702

P  2017-18 - Fusion of ultraviolet-visible and infrared transient absorption spectroscopy data to model ultrafast photoisomerization
B. Debus, M. Orio, J. Rehault, G. Burdzinski, C. Ruckebusch, M. Sliwa
J. Phys. Chem. Lett. 8 (2017) 3530 - 3535

P  2017-19 - Correcting for photodestruction in super-resolution optical fluctuation imaging
Y. Peeters, W. Vandenberg, S. Duwé, A. Bouwens, T. Lukeš, C. Ruckebusch, T. Lasser, P. Dedecker
Sci. Rep. 7 (2017) 10470-1 - 10470-10

P  2017-20 - Miscibility and thermodynamics of mixing of different models of formamide and water in computer simulation
B. Kiss, B. Fábián, A. Idrissi, M. Szöri, P. Jedlovszky
J Phys Chem B 121 (2017) 7147 - 7155

P  2017-21 - A modeling study of methane hydrate decomposition in contact with the external surface of zeolites
K.S. Smirnov
Phys. Chem. Chem. Phys. 19 (2017) 23095 - 23105

P  2017-22 - Dual thermo- and light-responsive coumarin-based copolymers with programmable cloud points
B. Couturaud, T. Stefanello, D. Fournier, M. Sliwa, A. Szarpack-Jankowska, R. Auzély-Velty, P. Woisel
Polym. Chem. 8 (2017) 4512 - 4519

P  2017-23 - Assessing inter and intra-particle heterogeneity in alumina-poor H-ZSM-5 zeolites
K. Kennes, C. Demaret, J. Van Loon, A. Kubarev, G. Fleury, M. Sliwa, O. Delpoux, S. Maury, B. Harbuzaru, J. Roeffaers
ChemCatChem 9 (2017) 3440 - 3445

P  2017-24 - Disclosing whole reaction pathways of photochromic 3H-Naphthopyrans with fast color fading
S. Brazevic, M. Sliwa, Y. Kobayashi, J. Abe, G. Burdzinski
J. Phys. Chem. Lett. 8 (2017) 909 - 914

P  2017-25 - Photoinduced electron transfers after t-stilbene incorporation in zeolite. Effect of the presence of an electron acceptor on the reactivity
A. Moissette, M. Hureau, P. Col, H. Vezin
Micropor. Mesopor. Mat. 254 (2017) 128 - 135

P  2017-26 - Detection of formaldehyde oxidation catalysis by MCR-ALS analysis of multiset ToF-SIMS data in positive and negative modes
X. Zhang, N. Nuns, J.F. Lamonier, R. Tauler, L. Duponchel
Chemometr. Intelligent Lab. Syst. 171 (2017) 80 - 85

P  2017-27 - Developing global regression models for metabolite concentration prediction regardless of cell line
S. André, S. Lagresle, A. Da Sliva, P. Heimendinger, Z. Hannas, E. Calvosa, L. Duponchel
Biotechnol. Bioeng. 114 (2017) 2550 - 2559

P  2017-28 - A cell wall proteome and targeted cell wall analyses provide novel information on hemicellulose metabolism in flax
M. Chabi, E. Goulas, C.C. Leclercq, I. De Waele, C. Rihouey, U. Cenci, A. Day, S. Blervacq, G. Neutelings, L. Duponchel, P. Lerouge, J.F. Hausman, J. Renaut, S. Hawkins
Mol. Cell. Proteomics 16 (2017) 1634 - 1651

P  2017-29 - Neighbouring pixel data augmentation: a simple way to fuse spectral and spatial information for hyperspectral imaging data analysis
F. Jamme, L. Duponchel
J. Chemometr. 31 (2017) 0 - 0

P  2017-30 - Sodalite cages of EMT zeolite confined neutral molecular-like silver clusters
B. Dong, R. Retoux, V. De Waele, S.G. Chiodo, T. Mineva, J. Cardin, S. Mintova
Microporous Mesoporous Mater. 244 (2017) 74 - 82

P  2017-31 - Light-Controlled Release and Uptake of Zinc Ions in Solution by a Photochromic Terthiazole-Based Ligand
J. Guérin, A. Léaustic, J. Berthet, R. Métivier, R. Guillot, S. Delbaere, K. Nakatani, P. Yu
Chem. Asian J. 12 (2017) 853 - 859

P  2017-32 - Effects of the zeolite particle size on the charge separated states
M. Hureau, A. Moissette, L. Tzanis, T.J. Daou
Microporous Mesoporous Mater. 254 (2017) 121 - 127

P  2017-33 - Approaching the limits of cationic and anionic electrochemical activity with the Li-rich layered rocksalt Li3IrO4
A.J. Perez, Q. Jacquet, D. Batuk, A. Iadecola, M. Saubanère, G. Rousse, D. Larcher, H. Vezin, M.L. Doublet
Nat. Energy 12 (2017) 954 - 962

P  2017-34 - Excited-State Symmetry Breaking in a Quadrupolar Molecule Visualized in Time and Space
B. Dereka, A. Rosspeintner, R. Stezycki, C. Ruckebusch, D.T. Gryko, E. Vauthey
J. Phys. Chem. Lett. 8 (2017) 6029 - 6034