Où docteurs et entreprises se rencontrent

Vous avez déjà un compte ?

Nouvel utilisateur ?

Photocatalytic deoxygenation of fatty esters: towards the production of bio-based alkanes

ABG-120230 Sujet de Thèse
12/02/2024 Contrat doctoral
CEA Paris-Saclay, France
Saclay - Ile-de-France - France
Photocatalytic deoxygenation of fatty esters: towards the production of bio-based alkanes
  • Chimie
catalysis, molecular chemistry, organic chemistry, organometallic chemistry, biomass, photocatalysis

Description du sujet

Alkanes are essential molecules in the energy sector (fuels), as well as in specialty (cosmetics, adhesives, etc.) and fine chemicals. Today, they are essentially derived from non-renewable fossil resources, and their use contributes to climate change through the production of carbon dioxide. To achieve carbon neutrality, producing alkanes from renewable carbon sources such as biomass would appear to be an attractive alternative. In biomass, fatty esters of the RCO2R' type have long alkyl chains, but the presence of oxygen atoms means they are not a direct substitute for petroleum-based alkanes.
The aim of this thesis will be to develop homogeneous catalytic systems for the photocatalytic deoxygenation of esters into the corresponding alkanes, by simple extrusion of a CO2 molecule. The energy required for the reduction reaction will be provided by light. Throughout this thesis project, the focus will be on developing catalytic systems and understanding reaction mechanisms through experimental studies (kinetics, NMR studies, observation of reaction intermediates, etc.) combined with theoretical chemistry (DFT calculations).

More information on the subject on the university website: https://adum.fr/as/ed/voirproposition.pl?site=PSaclay&matricule_prop=52873

Prise de fonction :


Nature du financement

Contrat doctoral

Précisions sur le financement

Présentation établissement et labo d'accueil

CEA Paris-Saclay, France

The CEA is a major player in research in France.
It provides concrete solutions to their needs in four main areas: energy transition, digital transition, technologies for the medicine of the future, defense and security, based on fundamental research. For more than 75 years, the CEA has been committed to promoting the scientific, technological and industrial sovereignty of France and Europe, for a more secure and controlled present and future.
Located at the heart of territories equipped with major research infrastructures, the CEA has a wide range of academic and industrial partners in France, Europe and abroad.

The thesis will be carried out in the LCMCE laboratory, part of CEA's IRAMIS institute (fundamental research division).

The PhD student will be supervised by Lucile Anthore-Dalion, researcher in synthesis methodology at the laboratory. The project will draw on the laboratory's expertise in C-O bond activation, [1-3] decarboxylation, [1,4] and photoredox catalysis. [5] The NIMBE/LCMCE, directed by Thibault Cantat, is perfectly equipped to carry out the proposed project. The laboratory has two photoreactors operating with lamps of different intensities and spectra (6 W white LEDs, 390 nm, 440 nm and 467 nm 45 W Kessil lamps). The equipment available also includes a 400 MHz multi-core NMR spectrometer, an X-ray diffractometer, 4 glovebox workstations under argon atmosphere, fume cupboards equipped with argon and nitrogen synthesis ramps, a GC equipped for analysis of common gases, a GC/MS, an HPLC/MS and autoclaves capable of reaching pressures of 180 bar and temperatures of 250°C. DFT calculations will be carried out thanks to an annual allocation of 500,000 scalar hours on the IDRIS and CINES national computing centers. The laboratory is also working in close collaboration with Dr Eugénie Romero (SCBM/Institut Joliot), who heads up the High-Throughput Experimentation (HTE) platform. This technique will provide a rapid overview of the various parameters governing the selectivity and efficiency of the reactions proposed in this project.

[1] E. Crochet, L. Anthore-Dalion, T. Cantat, Angew. Chem. Int. Ed. 2023, 62, e202214069
[2] M. Kobylarski, L. J. Donnelly, J.-C. Berthet, T. Cantat, Green Chemistry 2022, 24, 6810-6815
[3] X. Liu, M. Kobylarski, J. C. Berthet, T. Cantat, Chem. Commun. 2023, 59, 11228-11231.
[4] G. Destro, O. Loreau, E. Marcon, F. Taran, T. Cantat, D. Audisio, J. Am. Chem. Soc. 2019, 141, 780-784.
[5] M. Kjellberg, A. Ohleier, P. Thuery, E. Nicolas, L. Anthore-Dalion, T. Cantat, Chem. Sci. 2021, 12, 10266-10272.

Intitulé du doctorat

Doctorat de Chimie

Pays d'obtention du doctorat


Etablissement délivrant le doctorat

Université Paris-Saclay

Ecole doctorale


Profil du candidat

The candidate should have a profile of excellence in molecular chemistry with a specialization in organometallic chemistry, organic chemistry and/or homogeneous catalysis. A candidate with an interest in molecular modeling and mechanistic studies will be appreciated.

Partager via

Vous avez déjà un compte ?

Nouvel utilisateur ?