PhD thesis in quantum molecular modelling - Superacid activation of aromatic compounds M/F
New
- FTC PhD student / Offer for thesis
- 36 mounth
- BAC+5
This offer is available in English version
This offer is open to people with a document recognizing their status as a disabled worker.
Offer at a glance
The Unit
Institut de Chimie des Milieux et Matériaux de Poitiers
Contract Type
FTC PhD student / Offer for thesis
Working hHours
Full Time
Workplace
86073 POITIERS
Contract Duration
36 mounth
Date of Hire
01/10/2026
Remuneration
2300 € gross monthly
Apply Application Deadline : 06 May 2026 23:59
Job Description
Thesis Subject
Hired at CNRS, the PhD student will work at the Institute of Chemistry of Media and Materials of Poitiers (IC2MP, UMR CNRS 7285), within the Mediacat team. In the framework of the ANR program Metavers, this project aims at conducting a theoretical study by numerical simulation of an ensemble of electrophilic aromatic substitution reactions activated by superacids, which will also be studied experimentally within the institute (OrgaSynth team). These reactions are indeed promising entry points to uncommon polysubstituted aromatic motifs.
Inspired by a former work on the meta-selective methylation of aromatics, the aim of this PhD project is double. First, the work will aim at the theoretical study of the formation of (poly)cationic and (super)electrophilic intermediates which are exploited in the first step of the reaction. The objective here is to characterise the structure and physico-chemical properties of these intermediates, especially their local electrophilicity and their NMR spectra in solution (to be confronted to experimental data).
Second, we will consider the explicit reactivity of these intermediates with model aromatic compounds. Here we will focus more specifically on the electrophilic addition step (formation of arenium ions) and on the possible regiodiversion of the associated intermediates. In fine, the whole dataset should allow to formulate a first predictive model for the reactivity/selectivity in superacid conditions.
Your Work Environment
The work will be conducted at CNRS in the Institute of Chemistry of Media and Materials of Poitiers (IC2MP - UMR CNRS 7285 - https://ic2mp.labo.univ-poitiers.fr/) in the Catalysis and Non-conventional media team, under the supervision of the PI.
Compensation and benefits
Compensation
2300 € gross monthly
Annual leave and RTT
44 jours
Remote Working practice and compensation
Pratique et indemnisation du TT
Transport
Prise en charge à 75% du coût et forfait mobilité durable jusqu’à 300€
About the offer
| Offer reference | UMR7285-FREGUE-005 |
|---|---|
| CN Section(s) / Research Area | Physical chemistry, theoretical and analytic |
About the CNRS
The CNRS is a major player in fundamental research on a global scale. The CNRS is the only French organization active in all scientific fields. Its unique position as a multi-specialist allows it to bring together different disciplines to address the most important challenges of the contemporary world, in connection with the actors of change.
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