Temitope T. Abiola, Josene M. Toldo, Mariana T. do Casal, Amandine L. Flourat, Benjamin Rioux, Jack M. Woolley, Daniel Murdock, Florent Allais, Mario Barbatti, Vasilios G. Stavros
COMMUNICATIONS CHEMISTRY, 5 (2022)
Fatima Hammoud, Aristea Pavlou, Alexandros Petropoulos, Bernadette Graff, Michael G. Siskos, Akram Hijazi, Fabrice Morlet-Savary, Frederic Dumur, Jacques Lalevee
POLYMER CHEMISTRY, 13 4817-4831 (2022)
Dyhia Amrane, Omar Khoumeri, Patrice Vanelle, Nicolas Primas
MOLBANK, 2022 (2022)
Hong Chen, Laurent Pieuchot, Pu Xiao, Frederic Dumur, Jacques Lalevee
POLYMER CHEMISTRY, 13 2918-2932 (2022)
Malika Ibrahim-Ouali, Frederic Dumur
ARKIVOC, 140-164 (2022)
Mattia Bondanza, Baptiste Demoulin, Filippo Lipparini, Mario Barbatti, Benedetta Mennucci
JOURNAL OF PHYSICAL CHEMISTRY A, 126 6780-6789 (2022)
Malika Ibrahim-Ouali, Frederic Dumur
ARKIVOC, 262-284 (2022)
Xueyang Liu, Jean-Marc Pons, Valerie Monnier, Laurence Charles, Adrien Quintard, Cyril Bressy
EUROPEAN JOURNAL OF ORGANIC CHEMISTRY, 2022 (2022)
Itab Youssef, Isaure Carvin-Sergent, Evgeniia Konishcheva, Seydina Kebe, Vincent Greff, Denise Karamessini, Maziar Matloubi, Abdelaziz Al Ouahabi, Jochen Moesslein, Jean-Arthur Amalian, Salome Poyer, Laurence Charles, Jean-Francois Lutz
MACROMOLECULAR RAPID COMMUNICATIONS, 43 (2022)
Na Shao, Valerie Monnier, Laurence Charles, Jean Rodriguez, Cyril Bressy, Adrien Quintard
EUROPEAN JOURNAL OF ORGANIC CHEMISTRY, 2022 (2022)
Romain Mustiere, Prisca Lagardere, Sebastien Hutter, Viviana Dell'Orco, Nadia Amanzougaghene, Shahin Tajeri, Jean-Francois Franetich, Sophie Corvaisier, Marc Since, Aurelie Malzert-Freon, Nicolas Masurier, Vincent Lisowski, Pierre Verhaeghe, Dominique Mazier, Nadine Azas, Patrice Vanelle, Nicolas Primas
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 241 (2022)
Valentin Launay, Romain Wolf, Frederic Dumur, Jacques Lalevee
ADDITIVE MANUFACTURING, 58 (2022)
Valentin Launay, Frederic Dumur, Laurent Pieuchot, Jacques Lalevee
MATERIALS CHEMISTRY FRONTIERS, 6 1172-1179 (2022)
Mahmoud Rahal, Guillaume Noirbent, Bernadette Graff, Joumana Toufaily, Tayssir Hamieh, Didier Gigmes, Frederic Dumur, Jacques Lalevee
POLYMERS, 14 (2022)
Noemie Gil, Constance Thomas, Rana Mhanna, Jessica Mauriello, Romain Maury, Benjamin Leuschel, Jean-Pierre Malval, Jean-Louis Clement, Didier Gigmes, Catherine Lefay, Olivier Soppera, Yohann Guillaneuf
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 61 (2022)
Nina Girard-Perier, Magalie Claeys-Bruno, Sylvain R. A. Marque, Nathalie Dupuy, Fanny Gaston, Samuel Dorey
FOOD AND BIOPRODUCTS PROCESSING, 132 226-232 (2022)
Fatima Hammoud, Nicolas Giacoletto, Malek Nechab, Bernadette Graff, Akram Hijazi, Frederic Dumur, Jacques Lalevee
MACROMOLECULAR MATERIALS AND ENGINEERING, 307 (2022)
Ke Sun, Corentin Pigot, Yijun Zhang, Timur Borjigin, Fabrice Morlet-Savary, Bernadette Graff, Malek Nechab, Pu Xiao, Frederic Dumur, Jacques Lalevee
MACROMOLECULAR CHEMISTRY AND PHYSICS, 223 (2022)
Nina Girard-Perier, Samuel Dorey, Fanny Gaston, Fabien Girard, Sylvain R. A. Marque, Nathalie Dupuy
POLYMER DEGRADATION AND STABILITY, 195 (2022)
Roselyne Jeanne-Brou, Jonathan Deseure, Trang N. T. Phan, Renaud Bouchet, Didier Devaux
ELECTROCHIMICA ACTA, 434 (2022)
Shaohui Liu, Nicolas Giacoletto, Michael Schmitt, Malek Nechab, Bernadette Graff, Fabrice Morlet-Savary, Pu Xiao, Frederic Dumur, Jacques Lalevee
MACROMOLECULES, 55 2475-2485 (2022)
Vincent Montero, Marc Montana, Omar Khoumeri, Florian Correard, Marie-Anne Esteve, Patrice Vanelle
PHARMACEUTICALS, 15 (2022)
Nina Girard-Perier, Sylvain R. A. Marque, Nathalie Dupuy, Magalie Claeys-Bruno, Fanny Gaston, Samuel Dorey, Leonard S. Fifield, Yelin Ni, Donghui Li, Witold K. Fuchs, Mark K. Murphy, Suresh D. Pillai, Matt Pharr, Larry Nichols
FRONTIERS IN CHEMISTRY, 10 (2022)
Xingyu Wu, Mehdi Belqat, Benjamin Leuschel, Guillaume Noirbent, Frederic Dumur, Karine Mougin, Arnaud Spangenberg
POLYMER CHEMISTRY, 13 (2022)
Daniel W. Polak, Mariana T. do Casal, Josene M. Toldo, Xiantao Hu, Giordano Amoruso, Olivia Pomeranc, Martin Heeney, Mario Barbatti, Michael N. R. Ashfold, Thomas A. A. Oliver
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 24 20138-20151 (2022)
E. N'kaoua, S. Attarian, E. Delmont, E. Campana-Salort, A. Verschueren, A-M Grapperon, E. Mestivier, M. Roche
REVUE NEUROLOGIQUE, 178 616-623 (2022)
D. Ladika, G. Noirbent, F. Dumur, D. Gigmes, A. Mourka, G. D. Barmparis, M. Farsari, D. Gray
APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING, 128 (2022)
Qi Zhang, Donghai Xiong, Jing Pan, Yian Wang, Micael Hardy, Balaraman Kalyanaraman, Ming You
CANCERS, 14 (2022)
J. Pereira-da-Silva, M. Mendes, F. Kossoski, A. Lozano, R. Rodrigues, N. C. Jones, S. Hoffmann, F. Ferreira da Silva,
Physical Chemistry Chemical Physics, 23 2141-2153 (2021)
J. Pereira-da-Silva, M. Mendes, F. Kossoski, A. Lozano, R. Rodrigues, N. C. Jones, S. Hoffmann, F. Ferreira da Silva,
Physical Chemistry Chemical Physics, 23 2141-2153 (2021)
We report a comprehensive study on the electronic excited states of tetrafluoro-1,4-benzoquinone, through high-resolution vacuum ultraviolet photoabsorption spectroscopy and time-dependent density functional theory calculations performed within the nuclear ensemble approach. Absolute cross section values were experimentally determined in the 3.8-10.8 eV energy range. The present experimental results represent the highest resolution data yet reported for this molecule and reveal previously unresolved spectral structures. The interpretation of the results was made in close comparison with the available data for para-benzoquinone [Jones et al., J. Chem. Phys., 2017, 146, 184303]. While the dominant absorption features for both molecules arise from analogous pi* <- pi transitions, some remarkable differences have been identified. The perfluoro effect manifests in different ways: shifts in band positions and cross sections, appearance of features associated with excitations to sigma(CF)* orbitals, and spectrum broadening by quenching of either vibrational or Rydberg progressions. The level of agreement between experiment and theory is very satisfactory, yet that required the inclusion of nuclear quantum effects in the calculations. We have also discussed the role of temperature on the absorption spectrum, as well as the involvement of core-excited resonances in promoting dissociative electron attachment reactions in the 3-5 eV range.
Temitope T. Abiola, Natercia D. N. Rodrigues, Casey Ho, Daniel J. L. Coxon, Michael D. Horbury, Josene M. Toldo, Mariana T. do Casal, Benjamin Rioux, Cedric Peyrot, Matthieu M. Mention, Patrick Balaguer, Mario Barbatti, Florent Allais, Vasilios G. Stavros,
Journal of Physical Chemistry Letters, 12 337-344 (2021)
Temitope T. Abiola, Natercia D. N. Rodrigues, Casey Ho, Daniel J. L. Coxon, Michael D. Horbury, Josene M. Toldo, Mariana T. do Casal, Benjamin Rioux, Cedric Peyrot, Matthieu M. Mention, Patrick Balaguer, Mario Barbatti, Florent Allais, Vasilios G. Stavros,
Journal of Physical Chemistry Letters, 12 337-344 (2021)
The sparsity of efficient commercial ultraviolet-A (UV-A) filters is a major challenge toward developing effective broadband sunscreens with minimal human- and eco-toxicity. To combat this, we have designed a new class of Meldrum-based phenolic UV-A filters. We explore the ultrafast photodynamics of coumaryl Meldrum, CMe, and sinapyl Meldrum (SMe), both in an industry-standard emollient and on a synthetic skin mimic, using femtosecond transient electronic and vibrational absorption spectroscopies and computational simulations. Upon photoexcitation to the lowest excited singlet state (S-1), these Meldrum-based phenolics undergo fast and efficient nonradiative decay to repopulate the electronic ground state (S-0). We propose an initial ultrafast twisted intramolecular charge-transfer mechanism as these systems evolve out of the Franck-Condon region toward an S-1/S-0 conical intersection, followed by internal conversion to S o and subsequent vibrational cooling. Importantly, we correlate these findings to their long-term photostability upon irradiation with a solar simulator and conclude that these molecules surpass the basic requirements of an industry-standard UV filter.