0000000001298919

AUTHOR

Franziska Schoenebeck

showing 9 related works from this author

Selective Synthesis of Z -Silyl Enol Ethers via Ni-Catalyzed Remote Functionalization of Ketones

2021

Journal of the American Chemical Society : JACS 143(22), 8375-8380 (2021). doi:10.1021/jacs.1c01797

ketonesSilylationDimerketonit010402 general chemistry01 natural sciencesBiochemistrytransition metalsCatalysisCatalysischemistry.chemical_compoundkatalyytitColloid and Surface ChemistryPolymer chemistryhydrocarbonsoligomerseetteritkemiallinen synteesiOlefin fiberGeneral ChemistrySilyl enol ether540Enolhiilivedyt3. Good health0104 chemical sciencesoligomeerietherschemistryChain walkingddc:540nikkeliSelectivityJournal of the American Chemical Society
researchProduct

Accelerated dinuclear palladium catalyst identification through unsupervised machine learning.

2021

Although machine learning bears enormous potential to accelerate developments in homogeneous catalysis, the frequent need for extensive experimental data can be a bottleneck for implementation. Here, we report an unsupervised machine learning workflow that uses only five experimental data points. It makes use of generalized parameter databases that are complemented with problem-specific in silico data acquisition and clustering. We showcase the power of this strategy for the challenging problem of speciation of palladium (Pd) catalysts, for which a mechanistic rationale is currently lacking. From a total space of 348 ligands, the algorithm predicted, and we experimentally verified, a number…

Identification (information)MultidisciplinaryComputer sciencebusiness.industryUnsupervised learningHomogeneous catalysisArtificial intelligencebusinessMachine learningcomputer.software_genrecomputerPalladium catalystBottleneckScience (New York, N.Y.)
researchProduct

A Next‐Generation Air‐Stable Palladium(I) Dimer Enables Olefin Migration and Selective C−C Coupling in Air

2020

Abstract We report a new air‐stable PdI dimer, [Pd(μ‐I)(PCy2 tBu)]2, which triggers E‐selective olefin migration to enamides and styrene derivatives in the presence of multiple functional groups and with complete tolerance of air. The same dimer also triggers extremely rapid C−C coupling (alkylation and arylation) at room temperature in a modular and triply selective fashion of aromatic C−Br, C−OTf/OFs, and C−Cl bonds in poly(pseudo)halogenated arenes, displaying superior activity over previous PdI dimer generations for substrates that bear substituents ortho to C−OTf.

Dimerchemistry.chemical_elementHomogeneous catalysisAlkylationmigration010402 general chemistry01 natural sciencesolefinCatalysisStyreneCatalysischemistry.chemical_compoundkatalyytitPolymer chemistryChemoselectivityOlefin fiber010405 organic chemistryCommunicationC−C couplingGeneral MedicineGeneral Chemistrypalladiumhomogeneous catalysisCommunications3. Good health0104 chemical scienceschemistrychemoselectivitykatalyysiddc:540Homogeneous Catalysis | Hot Paperolefin migrationPalladiumAngewandte Chemie International Edition
researchProduct

CCDC 2064863: Experimental Crystal Structure Determination

2022

Related Article: Julian H��ffel, Theresa Sperger, Ignacio Funes-Ardoiz, Jas Ward, Kari Rissanen, Franziska Schoenebeck|2021|Science|374|1134|doi:10.1126/science.abj0999

bis(mu-iodo)-bis(2266-tetramethyl-1-phenylphosphinan-4-one)-di-palladium(i)Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 2009560: Experimental Crystal Structure Determination

2021

Related Article: Sinem Guven, Gourab Kundu, Andrea Weßels, Jas S. Ward, Kari Rissanen, Franziska Schoenebeck|2021|J.Am.Chem.Soc.|143|8375|doi:10.1021/jacs.1c01797

Space GroupCrystallographyCrystal System13-bis[26-di-isopropylphenyl]-1H-imidazol-3-ium {13-bis[26-di-isopropylphenyl]imidazol-2-ylidene}-tribromo-nickel toluene solvateCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 2009558: Experimental Crystal Structure Determination

2021

Related Article: Sinem Guven, Gourab Kundu, Andrea Weßels, Jas S. Ward, Kari Rissanen, Franziska Schoenebeck|2021|J.Am.Chem.Soc.|143|8375|doi:10.1021/jacs.1c01797

Space GroupCrystallographyCrystal Systembis{13-bis[26-di-isopropylphenyl]imidazol-2-ylidene}-dibromo-nickel n-pentane solvateCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 2008108: Experimental Crystal Structure Determination

2020

Related Article: Gourab Kundu, Theresa Sperger, Kari Rissanen, Franziska Schoenebeck|2020|Angew.Chem.,Int.Ed.|59|21930|doi:10.1002/anie.202009115

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis(mu-iodo)-bis[t-butyl(dicyclohexyl)phosphine]-di-palladium(i)Experimental 3D Coordinates
researchProduct

CCDC 2009557: Experimental Crystal Structure Determination

2021

Related Article: Sinem Guven, Gourab Kundu, Andrea Weßels, Jas S. Ward, Kari Rissanen, Franziska Schoenebeck|2021|J.Am.Chem.Soc.|143|8375|doi:10.1021/jacs.1c01797

Space GroupCrystallographyCrystal Systembis(mu-bromo)-bis{13-bis[26-di-isopropylphenyl]imidazol-2-ylidene}-di-nickelCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 2009559: Experimental Crystal Structure Determination

2021

Related Article: Sinem Guven, Gourab Kundu, Andrea Weßels, Jas S. Ward, Kari Rissanen, Franziska Schoenebeck|2021|J.Am.Chem.Soc.|143|8375|doi:10.1021/jacs.1c01797

bis(mu-bromo)-bis{13-bis[26-di-isopropylphenyl]imidazol-2-ylidene}-dibromo-di-nickelSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct