High Throughput Experimentation (HTE)
The HTE@ETH lab has two liquid handling robotic platforms to prepare catalyst formulations and test them at elevated temperatures and pressures under strictly anaerobic conditions. Up to 96 experiments can be carried out simultaneously on both heterogeneous and homogeneous catalysts and a gas-uptake parallel reactor operated inside a glovebox allows for the reaction optimization studies and mechanistic investigations.
If you are interested in a data-driven infrastructure for catalysts discovery and optimization, visit external page Cat+.
Selected Publications
High-Throughput Catalyst Screening
P. S. Engl, A. Tsygankov, J. J. Silva, J.P. Lange, C. Copéret, A. Togni, A. Fedorov, Acrylate Esters by Ethenolysis of Maleate Esters with Ru Metathesis Catalysts: an HTE and a Technoeconomic Study, external page Helv. Chim. Acta, 2020, 103, e2000035.
J. J. Silva, M.A.B. Ferreira, A. Fedorov, M.S. Sigman, C. Copéret, Molecular-level insight in supported olefin metathesis catalysts by combining surface organometallic chemistry, high throughput experimentation, and data analysis, external page Chem. Sci., 2020, 11, 6717-6723.
R. Arancon, M. Saab, A. Morvan, A. Bonduelle-Skrzypczak, A.-L. Taleb, A.-S. Gay, C. Legens, O. Ersen, K. Searles, V. Mougel, A. Fedorov, C. Copéret, P. Raybaud, Combined Experimental and Theoretical Molecular Approach of the Catalytically Active Hydrotreating MoS2 Phases Promoted by 3d Transition Metals, external page J. Phys. Chem. C 2019, 123, 24659−24669.
M. A. B. Ferreira, J. J. Silva, S. Grosslight, A. Fedorov, M. S. Sigman, C. Copéret, Non Covalent Interactions Drive the Efficiency of Molybdenum Imido Alkylidene Catalysts for Olefin Metathesis, external page J. Am. Chem. Soc. 2019, 141, 10788–10800.
A. Fedorov, H.-J. Liu, H.-K. Lo, C. Copéret, Silica-Supported Cu Nanoparticle Catalysts for Alkyne Semihydrogenation: Effect of Ligands on Rates and Selectivity, external page J. Am. Chem. Soc. 2016, 138, 16502‑16507.
Reaction Optimization and Catalyst Testing
J. Mendes-Burak, B. Ghaffari, C. Copéret, Selective hydrogenation of a,b-unsaturated carbonyl compounds on silica-supported copper nanoparticles, external page Chem. Commun. 2019, 55, 179–181.
N. Kaeffer, K. Larmier, A. Fedorov, C. Copéret, Origin of Ligand-Driven Selectivity in Alkyne Semihydrogenation over Silica-Supported Copper Nanoparticles, external page J. Catal. 2018, 364, 437–445.
F. Allouche, K. W. Chan, A. Fedorov, R. A. Andersen, C. Copéret, Silica-Supported Pentamethylcyclopentadienyl Ytterbium(II) and Samarium(II) Sites: Ultrahigh Molecular Weight Polyethylene without Co-Catalyst, external page Angew. Chem. Int. Ed. 2018, 57, 3431–3434.
N. Kaeffer, H.-J. Liu, H.-K. Lo, A. Fedorov, C. Copéret, An N-heterocyclic Carbene Ligand Promotes Highly Selective Alkyne Semihydrogenation with Copper Nanoparticles Supported on Passivated Silica, external page Chem. Sci., 2018, 9, 5366-5371.
D. P. Estes, C. P. Gordon, A. Fedorov, W.-C. Liao, H. Ehrhorn, C. Bittner, M. L. Zier, D. Bockfeld, K. W. Chan, O. Eisenstein, C. Raynaud, M. Tamm, C. Copéret, Molecular and Silica-Supported Molybdenum Alkyne Metathesis Catalysts: Influence of Electronics and Dynamics on Activity Revealed by Kinetics, Solid-State NMR and Chemical Shift Analysis, external page J. Am. Chem. Soc. 2017, 139, 17597‑17607.
P. S. Engl, C. B. Santiago, C. P. Gordon, W.-C. Liao, A. Fedorov, C. Copéret, M. S. Sigman, A. Togni, Exploiting and Understanding the Selectivity of Ru-NHC Metathesis Catalysts for the Ethenolysis of Cyclic Olefins to α,ω-Dienes, external page J. Am. Chem. Soc. 2017, 139, 13117‑13125.
D. P. Estes, C. Bittner, Ò. Àrias, M. Casey, A. Fedorov, M. Tamm, C. Copéret, Alkyne Metathesis with Silica-Supported and Molecular Catalysts at Parts-per-Million Loadings, external page Angew. Chem. Int. Ed. 2016, 55, 13960‑13964. Frontispiece, DOI: 10.1002/anie.201684561.
M. Pucino, V. Mougel, R. Schowner, A. Fedorov, M. R. Buchmeiser, C. Copéret, Cationic Silica-Supported N-Heterocyclic Carbene Tungsten Oxo Alkylidene Sites: Highly Active and Stable Catalysts for Olefin Metathesis, external page Angew. Chem. Int. Ed. 2016, 55, 4300‑4302.
H.-J. Liu, I. C. Cai, A. Fedorov, M. S. Ziegler, C. Copéret, T. Don Tilley, Tricoordinate Organochromium(III) Complexes Supported by a Bulky Silylamido Ligand Produce Ultra-High-Molecular Weight Polyethylene in the Absence of Activators, external page Helv. Chim. Acta 2016, 99, 859‑867.
P. S. Engl, A. Fedorov, C. Copéret, A. Togni, N-Trifluoromethyl NHC Ligands Provide Selective Ruthenium Metathesis Catalysts, external page Organometallics, 2016, 35, 887‑893.