Institut des Sciences Moléculaires
Theoretical Chemistry & Modeling Group
Bât A12, 3ème étage est, B12
Université de Bordeaux
351, Cours de la Libération
F-33405 Talence, France
|(+33) (0)5 4000 38 63|
I completed a Ph.D. in Theoretical Chemistry in 1999 at the University of Bordeaux, the subject of which was the elaboration of a correlated fragment orbital method to describe charge transfer processes in organic superconductors. I then accomplished a post-doctoral stay at the University of Namur (Belgium), where I worked on the evaluation of second order optical susceptibilities of molecular assemblies and crystals. In 2000, I was recruited as Maître de Conférences (Assistant Professor) in the chemistry department of the University of Bordeaux. I obtained the accreditation to supervise researches in 2009, and was appointed Full Professor in 2014.
Teaching activitiesGeneral physical chemistry (Licence 1st year)
Quantum mechanics & electronic structure of atoms (Licence 2nd year)
Electronic structure of molecules (Licence 3rd year)
Quantum chemistry (Master 1st year)
Coordinator of the International PCCP Master Program
My research activities consist in the use of theoretical chemistry methods to determine the structural, electronic, and optical properties of organic conjugated compounds with promising characteristics for exploitation in electronics, optoelectronics or photonic devices. My recent works focussed on the simulation of electron transfer mechanisms in organic semiconductors and at their interfaces, as well as on the modeling of the nonlinear optical properties of molecular systems and materials.
Read more about the research team and projects
Recent publications (2021)L. Lescos, P. Beaujean, C. Tonnelé, P. Aurel, M. Blanchard-Desce, V. Rodriguez, M. de Wergifosse, B. Champagne, L. Muccioli, F. Castet
Self-assembling, structure and nonlinear optical properties of fluorescent organic nanoparticles in water
Phys. Chem. Chem. Phys. 2021, DOI: 10.1039/D1CP03741B.
C. Naim, F. Castet, E. Matito
Impact of Van der Waals interactions on structural and nonlinear optical properties of azobenzene switches
Phys. Chem. Chem. Phys. 2021, 23, 21227-21239.
C. Bouquiaux, F. Castet, B. Champagne
Unravelling the Effects of Cholesterol on the Second-Order Nonlinear Optical Responses of Di-8-ANEPPS Dye Embedded in Phosphatidylcholine Lipid Bilayers.
J. Phys. Chem. B, 2021, 125, 10195-10212
P. A. Peixoto, M. El Assal, A. Cornu, I. Chataigner, F. Castet, R. Coffinier, C. Bosset, D. Deffieux, L. Pouységu, S. Quideau
Bispericyclic Diels–Alder dimerization of ortho-quinols in natural product (bio)synthesis – Chemical 6-step synthesis of (+)-maytenone
Angew. Chem. int. Ed. 2021, 60, 14967-14974.
R. Cranston, M. C. Vebber, N. A. Rice, C. Tonnelé, F. Castet, L. Muccioli, J. Brusso, B. H. Lessard
N-type Solution-Processed Tin versus Silicon Phthalocyanines: Improved Organic Thin Film Transistors but Unfavourable in Organic Photovoltaics
ACS Appl. Electron. Mater., 2021, 3, 1873-1885.
T. N. Ramos, F. Castet, B. Champagne
Second Harmonic Generation Responses of Ion-Pairs Revealing the Formation of Dimeric Aggregates
J. Phys. Chem. B 2021, 125, 3386−3397.
R. Cranston, M. C. Vebber, J. F. Berbigier, N. Rice, C. Tonnelé, Z. Comeau, N. T. Boileau, A. J. Shuhendler, F. Castet, L. Muccioli, T. L. Kelly, B. H. Lessard
Thin film engineering of solution processable n-type silicon phthalocyanines for organic thin-film transistors
ACS Appl. Mater. Interfaces, 2021, 13, 1008-1020.
B. King, O. A. Melville, N. A. Rice, S. Kashani, C. Tonnelé, H. Raboui, S. Swaraj, K. Lochhead, T. M. Grant, T. McAfee, T. P. Bender, H. Ade, F. Castet, L. Muccioli, B. H. Lessard
Silicon phthalocyanines for n-type organic thin-film transistors: development of structure-property relationships
ACS Appl. Electron. Mater. 2021, 3, 325-336.
F. Castet, A. Gillet, F. Bureš, A. Plaquet, V. Rodriguez, B. Champagne
Second-order nonlinear optical properties of Λ-shaped pyrazine derivatives
Dyes and Pigments. 2021, 184, 108850.
Citation and Reviewing IndexesORCID: 0000-0002-6622-2402
Scopus Author ID: 55928532300