ITEMM
Interplay Theory-Experiment
Mechanisms & Modeling
Our research group (Interface Theory Experiment: Mechanism & Modeling) use synergistical interplay between theory and experiment to decipher chemical mechanisms. Our research is dedicated to the understanding and modeling of complex catalytic systems through a multidisciplinary approach: at the interphase between advanced physicochemical characterization and multi-scale computer modeling. We are particularly interested in polymetallic mechanisms (clusters of metals in solutions, supported nanoparticles, etc.), mechanisms of transmetalation reactions, descriptor development for the optimization assisted by artificial intelligence of reactions and the calculation of spectroscopic properties for the characterization of non-isolable species.
Our team
Publications Find the most recent scientific contributions
Electrochemically Driven Nickel-Catalyzed Halogenation of Unsaturated Halide and Triflate Derivatives
Chen, Ming-Yu; Charvet, S.; Payard, Pierre-Adrien; Perrin, Marie-Eve L.; Vantourout, Julien C.
Angew. Chem. Int. Ed. 2023, 63, 2, e202311165
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Nickel-Catalyzed Trifluoromethylselenolation of Aryl and Alkenyl-Triflates: Scope and Mechanism
Tang, Renhe; Petit, Julien; Yang, Yi; Link, Achim; Bächle, Florian; Perrin, Marie-Eve L.; Amgoune, Abderrahmane; Tlili, Anis
ACS Catal. 2023, 13, 12553-12562
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Ir–Na cooperativity controls the diastereoselectivity of borrowing hydrogen C–C alkylation on isosorbide: synthesis methodology and mechanistic investigation
Jordan François, Jordan Rio, Erwann Jeanneau, Marie-Ève L. Perrin, Maïwenn Jacolot, Pierre-Adrien Payard and Florence Popowycz
DOI 10.1039/D3QO00700F
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Shedding Light on the Hidden Roles of Lithium in the Nickel-Catalyzed Cross-Coupling of Aryl Ethers
H. Liang, A. M. Borys, E. Hevia, M.-E. L. Perrin, P.-A. Payard
J. Am. Chem. Soc. 2023, doi: jacs.3c06647
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We Already Know Everything about Oxidative Addition to Pd(0): Do We?
J. Rio, H. Liang, M.-E. L. Perrin, L. A. Perego, L. Grimaud, P.-A. Payard