Université de Bordeaux CNRS
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Pr. Frédéric Castet

Personal webpage



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
frederic.castet@u-bordeaux.fr

Short bio

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 activities

General 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

Research activities

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 (2022)


P. Beaujean, L. Sanguinet, V. Rodriguez, F. Castet, B. Champagne
Multi-State Second-Order Nonlinear Optical Switches Incorporating from One to Three Benzazolo-Oxazolidine Units: a Quantum Chemistry Investigation
Molecules 2022, 27, 2770.

W. Khelifi, H. Awada, S. Blanc, G. Roche, L. Hirsch, B. Oboho, F. Castet, A. Bousquet, C. Lartigau-Dagron
Diketo-pyrrolo pyrrole-based acceptor-acceptor copolymers with deep HOMO and LUMO levels absorbing in the near infrared
Appl. Sci. 2022, 12, 4494.

M. Rosendale, J. Daniel, F. Castet, P. Pagano, J.-B. Verlhac, M. Blanchard-Desce
Stealth luminescent organic nanoparticles made from quadrupolar dyes for two-photon bioimaging: Effect of end-groups and core
Molecules 2022, 27, 2230

Q. Li, F. Castet, L. Muccioli, M.-A. Dourges, T. Toupance, Y. Nicolas
Direct triple annulations: a way to large triazastarphenes with inter-twined hexagonal packing
Org. Lett., 2022, 24, 344

R. R. Cranston, B. King, C. Dindault, T. M. Grant, N. A. Rice, C. Tonnelé, L. Muccioli, F. Castet, S. Swara, B. H. Lessard
Highlighting the processing versatility of a silicon phthalocyanine derivative in organic thin-film transistors
J. Mat. Chem. C, 2022, 10, 485

A. van der Lee, M. Polentarutti, G. H. Roche, O. J. Dautel, G. Wantz, F. Castet, L. Muccioli
Structural signature of temperature-dependent charge carrier transport crossover in rubrene
J. Phys. Chem. Lett. 2022, 13, 406

Full publication list (≤ 2021)

Citation and Reviewing Indexes

ORCID: 0000-0002-6622-2402
ResearcherID: K-5185-2016
Scopus Author ID: 55928532300
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