Dr Pierre-Adrien PAYARD

Dr Pierre-Adrien PAYARD

completed his undergraduate studies in Chemistry at Ecole Normale Supérieure Paris-Saclay and passed the Agrégation de Chimie in 2016. He carried out his PhD at Ecole Normale Supérieure under the joint supervision of Dr Laurence Grimaud and Dr Marc Pera-Titus focusing on mechanistic studies of metal-catalyzed reactions. In 2019, he joined the team of Prof Christophe Copéret at ETH Zürich as a postdoctoral researcher before starting his independent career as associate professor at the University of Lyon in 2020.

His 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. He is engaged in numerous collaborations at the national and international level, with academic and industrial partners, with the objective to comprehend and overcome catalytic limitations encountered by synthetic chemists.

He is particularly interested in polymetallic mechanisms (clusters of metals in solutions, supported nanoparticles, etc.), mechanisms of transmetalation reactions, descriptor developments for the optimization assisted by artificial intelligence of reactions and the calculation of spectroscopic properties for the characterization of non-isolable species.

Publications List

2023

24. PdGa Alloying-Dealloying Processes under Reducing and CO2 Hydrogenation Reaction Conditions from Metadynamics Simulations, J. F. Baumgärtner, A. Müller, S. R. Docherty, A. Comas-Vives, P.-A. Payard,* C. Copéret* under review

22. Assigning ¹H Chemical Shifts in Paramagnetic Mono and Bimetallic Surface Sites using DFT: a Case Study on the Union Carbide Polymerization Catalyst, A. Nobile, D. Trummer, Z. Berkson, M. Wörle, C. Coperet,* P.-A. Payard,* Chem. Sci. 2023, ASAP. 

2022

21. Copper-Catalyzed Homocoupling of Boronic Acids: A focus on B-to-Cu and Cu-to-Cu Transmetalations, A Salamé, J Rio, I Ciofini,* L Perrin,* L Grimaud,* P.-A. Payard,* Molecules, 2022, 27, 7517. Special Issue Electrochemistry and Organometallic Catalysis: Themed Issue in Honor of the Great Contribution of Prof. Dr. Christian Amatore and Prof. Dr. Anny Jutand.

20. Role and Dynamics of Transition Metal Carbides in Methane Coupling, S. B. X. Y. Zhang, Q. Pessemesse, L. Lätsch, K. M. Engel, W. J. Stark, A. P. van Bavel, A. D Horton, P.-A. Payard,* C. Copéret,* under review.

19. Structure–Reactivity Relationship of Organozinc and Organozincate Reagents: Key Elements towards Molecular Understanding, J. Rio, L. Perrin, P.-A. Payard, Eur. J. Org. Chem. 2022, ASAP.

18. Grafting of Group-10 Organometallic Complexes on Silicas: Differences and Similarities, Surprises and Rationale, D. Gioffrè, L. Rochlitz, P.-A. Payard, A. Yakimov, C. Copéret, Helv. Chim. Acta, 2022, ASAP.

17. Union carbide polymerization catalysts: from uncovering active site structures to designing molecularly-defined analogs, D. Trummer, A. G. Nobile, P.-A. Payard, A. Ashuiev, Y. Kakiuchi, D. Klose, G. Jeschke, C. Copéret, Chem. Sci., 2022, 13, 11091-11098.

16. A Robust and Efficient Propane Dehydrogenation Catalyst from Unexpectedly Segregated Pt₂Mn Nanoparticles, L. Rochlitz, Q. Pessemesse, J. W. A. Fischer, D. Klose, A. H. Clark, M. Plodinec, G. Jeschke, P.-A. Payard,* C. Copéret,* J. Am. Chem. Soc. 2022, 144 (29), 13384–13393.

15. Salt-Enhanced Oxidative Addition of Iodobenzene to Pd: An Interplay Between Cation, Anion, and Pd–Pd Cooperative Effects, H. Liang, J. Rio, L. Perrin,* P.-A. Payard,* Inorg. Chem. 2022, 61 (20), 7935–7944.

2021

14. Dynamics and Site Isolation: Keys to High Propane Dehydrogenation Performance of Silica-Supported PtGa Nanoparticles, P.-A. Payard, L. Rochlitz, K. Searles, L. Foppa, B. Leuthold, O. V. Safonova, A. Comas-Vives, C. Copéret, JACS Au 2021, 1 (9), 1445–1458.

13. Amides Synthesis by Copper-Catalyzed Oxidative Transformation of Nitriles in Presence of Iodonium Triflates, R. Sallio, C. Bermejo, P.-A. Payard, I. Fabre, P. Pakulski, I. Diachenko, S. Berteina-Raboin, I. Ciofini, L. Grimaud, I. Gillaizeau, RSC Adv., 2021, 11, 15885-15889

12. Role of dppf Monoxide in the Transmetalation Step of the Suzuki–Miyaura Coupling Reaction, P.-A. Payard,* A. Bohn, D. Tocqueville, S. Ajig, A. Dethoor, S. Wagscha,* I. Ciofini,* L. Grimaud,* Organometallics 2021, 40, 1120–1128.

11. Metal-Free Visible-Light Synthesis of Arysulfonyl Fluorides: Scope and Mechanism, D. Louvel, A. Chelagha, J. Rouillon, P.-A. Payard, L. Khrouz, C. Monnereau, A. Tlili, Chem. Eur. J. 2021, 27, 8704-8708. 

10. Heterogeneous Alkane Dehydrogenation Catalysts Investigated via a Surface Organometallic Chemistry Approach, S. R. Docherty, L. Rochlitz, P.-A. Payard, C. Copéret, Chem. Soc. Rev. 2021, 50, 5806-5822. 

2020

9. A DFT Protocol for the Prediction of 31P NMR Chemical Shifts of Phosphine Ligands in First-Row Transition-Metal Complexes, P.-A. Payard,* L.A. Perego, L. Grimaud,* I. Ciofini,* Organometallics 2020, 39, 3121–3130.

8. Rational Optimization of Lewis‐Acid Catalysts for Direct Alcohol Amination, Part 2 – Titanium Triflimide as New Active Catalyst, P.-A. Payard,* C. Finidori, L. Guichard, D. Cartigny, M. Corbet, L. Khrouz, L. Bonneviot, R. Wischert, L. Grimaud,* M. Pera-Titus,* Eur. J. Org. Chem. 2020, 3225-3228.

7. Rational Optimization of Lewis-Acid Catalysts for the Direct Amination of Alcohols, Part 1 – Activity Descriptors for Metal Triflates and Triflimides, P.-A. Payard,* C. Finidori, L. Guichard, D. Cartigny, M. Corbet, L. Khrouz, L. Bonneviot, R. Wischert, L. Grimaud,* M. Pera-Titus,* Eur. J. Org. Chem. 2020, 3219-3224.

6. Triflate Iron Salts as Precursor of Highly Active and Selective Catalyst for Solvent-Free Oxidation of Cyclohexane into KA Oil P. A. Payard L. Khrouz, L. Bonneviot, L. Grimaud, R. Wischert, M. Pera-Titus, Eur. J. Org. Chem. 2020, 3552- 3559. (cover feature, Eur. J. Org. Chem., 2020, 3516).

5. Copper Reactivity can be Tuned to Catalyse the Stereoselective Synthesis of 2- deoxy Glycosides from Glycals, C. Palo-Nieto, A. Sau, R. Jeanneret, P.-A. Payard, M. B. Martins-Teixeira, I. Carvalho, L. Grimaud, M. C. Galan, Org. Lett. 2020, 22, 1991–1996.

2018

4. Evidence for a Cooperative Mechanism Involving two Palladium(0) Centers in the Oxidative Addition of Iodoarenes, L. A. Perego, P.-A. Payard, B. Haddou, I. Ciofini, L. Grimaud, Chem Eur. J., 2018, 24 (9), 2192-2199.

3. Taming Nickel-Catalyzed Suzuki-Miyaura Coupling: A Mechanistic Focus on Boron-to-Nickel Transmetalation. P.-A. Payard, L.A. Perego, I. Ciofini, L. Grimaud., ACS Catal., 2018, 8, 4812–4823

2. Direct Amination of Alcohols Catalyzed by Aluminum Triflate: an Experimental and Computational Study, P.-A. Payard, Q. Gu, W. Guo, Q. Wang, J. Lai, M. Corbet, C. Michel, P. Sautet, L. Grimaud, R. Wischert and M. Pera-Titus, Chem Eur J., 2018, 24, 14146-14153.

2016

1. The drying of linseed oil investigated by Fourier transform infrared spectroscopy: Historical recipes and influence of lead compounds, L. de Viguerie, P.-A. Payard, E. Portero, Ph. Walter, M. Cotte, Prog. Org. Coat., 2016, 93, 46–60.