Postdoc position computational treatment of radical Frustrated Lewis Pairs, Aix-Marseille University, France

In the « Institut des Sciences Moléculaires de Marseille (iSm2)», our Theoretical Chemistry & Modeling Group (CTOM) invites applications for a postdoc position starting in fall 2024.

The topic is about the design of molecular systems to develop new Frustrated Lewis Pairs (FLP) activation modes, namely based on a free radical FLP (FLP•). Small molecules activation ranks among the most important chemical processes employed for the production of commodity and specialty chemicals. Their activation is usually achieved by transition metal catalysts. 

However, Frustrated Lewis Pairs (FLPs) can also activate molecular dinitrogen or dihydrogen, and they have been presented as an alternative to transition metals.

In this context, theoretical calculations need to be performed to explore the properties of FLP at hand and to propose a computational screening on promising structures to guide the synthesis process. This screening needs to be set up, by both computing properties of the FLP building blocks and by comparing reaction mechanisms for the activation process (H 2 splitting) against possible parasite reactions.

The post-doc position is supported by the AMIDEX Fondation (Aix-Marseille Universite), within the project “Small Molecules Activation thanks to Silylium-NHC Frustrated Lewis Pairs”. We look for young candidates, who have a research experience of less than three years after the PhD. Prior experiences with first principles calculations, using quantum chemistry programs are necessary. The position requires collaborative skills to work with experimentalists, as well as other theoreticians. Very motivated candidates with a degree from computational chemistry, or related fields are encouraged to apply.

Duration: 18 months

Experience: less than three years (after the PhD)

Starting: Fall 2024

Gross Salary: 2500 €/month


For further information and applications, please contact Dr. Paola Nava:
Review of applications will begin immediately, and continue until the position is filled. Applications include: a detailed CV, a motivation letter, and 2 recommendation letters or contacts.