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Director of the ICGM

I. By the way

Courses & Training Teachings & Responsibilities Courses & Training

  • HDR : "Modeling Structure and Reactivity in Organometallic Chemistry: The Richness of Experience/Theory Dialogue.", University of Montpellier 2 (June 2004)
  • ATER at ENS Lyon (1995-1996)
  • Ph.D.: "Consequences of the Presence of Identical Particles on the Structure and Dynamics of Transition Metal Polyhydrides.", University Paris Sud Orsay (Directors: Odile Eisenstein and Claude Leforestier, June 1995)
  • National Service: Professor of Physics and Chemistry at the Military High School of Aix en Provence (1991-1992)
  • DEA Molecular Physical Chemistry, University of Paris Sud Orsay (1990-1991)
  • Aggregation in Chemistry (1990)
  • ENS Lyon student (1987-1991)

Teachings & Responsibilities

  • Member of the Advisory Board of Dalton Transactions
  • Member of the Advisory Board of Organometallics
  • Member of ANR Selection Committees (2014-2016, 2020-2022)
  • Member of the CT8 GENCI Expert Committee (2016-2020)

Ii. Research activities
Theoretical modeling of selectivity in homogeneous catalysis.
Theoretical modeling of selectivity in homogeneous catalysis.

Computational chemistry now makes it possible to describe chemical reactivity in a very fine way, taking into account all the complexity of the system, especially at the level of the different types of selectivity possible.

Research themes Collaborations & Contracts Research themes

My research activities revolve around the study of the structure and reactivity of transition metal complexes active in heterogeneous catalysis. These studies are always carried out in close synergy with different experimental groups and the calculations feed and feed the synthetic developments. The specificity of the calculations I conduct is to model systems at different levels of complexity. First, to identify trends in behaviour, complex patterns are considered. Then, to address the different types of selectivity, systems that are increasingly close to experimental reality are considered in the calculations. Both thermodynamic (local minima) and kinetic (transition states) aspects are specifically sought. An in-depth understanding of responsiveness is also obtained from the analysis of the electronic structure using different approaches: NBO, QTAIM, NCI.

The themes, in terms of the nature of chemical transformations,
addressed mainly concern:

  • C-H link functionalization
  • unsaturation functionalization: C=C, C=O
  • reduction from N2 to NH3.

Collaborations & Contracts

  • RedNEC RDA:
    Reduction from N2 to NH3 with Mo complexes. From fundamental PCET reactivity to efficient electrocatalysis (2021-2025)
  • ANR 3H2:
    Poly(dyhydrogen) complexes and hydrogen transfer (2015-2020)
  • ANR MigraCat:
    Catalytic migratory cross-couplings (2014-2018)
  • EnolFun ANR :
    Functionalization of C(sp3)-H bonds of enolates (2011-2015)
  • ReBAB ANR:
    Remote B-H activation in unconventional multi-dent boran ligands (2011-2014
  • ANR HyBoCat: Hydrogen and Boranes:
    Models for Reversible Hydrogen Storage and Catalytic Applications (2009-2012).
  • ANR ALCaCHA : Functionalization of alkyl groups by catalytic C-H activation:
    methods, mechanisms and applications (2008-2011)
Iii. Scientific production