Cu(I)-Assisted Addition of Li- or Zn-Organometallics to Carbonyl Compounds: Learning from Analogies and Differences Between Intermediates and Transition States

Autor: Helene GERARD, Stéphanie Halbert

Publikováno v: Topics in Catalysis. 65:481-492

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::f0bf5dcfd2ff2341c0325ff0fbc0e077
https://doi.org/10.1007/s11244-021-01551-9

Development of a Radical Silylzincation of (Het)Aryl-Substituted Alkynes and Computational Insights into the Origin of the trans-Stereoselectivity

Autor: Fabrice Chemla, Karen de la Vega-Hernández, Hélène Gérard, Martin Oestreich, Juan Sanz García, Stéphanie Halbert, Alejandro Perez-Luna, Carolin Fopp, Olivier Jackowski, Frédéric Guégan, Franck Ferreira, Elise Romain

Publikováno v: Advanced Synthesis and Catalysis
Advanced Synthesis and Catalysis, Wiley-VCH Verlag, 2021, 363 (10), pp.2634-2647. ⟨10.1002/adsc.202001566⟩

International audience; Aryl- and hetaryl-substituted acetylenes undergo regio- and stereoselective silylzincation by reaction with [(Me3Si)3Si]2Zn in the presence of Et2Zn (10–110 mol%) as additive. The distinctive feature of this addition across

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7149f4d835e21a2f8b9d16e43c576174
https://hal.sorbonne-universite.fr/hal-03236531/document

Asymmetric Sequential Cu‐Catalyzed 1,6/1,4‐Conjugate Additions of Hard Nucleophiles to Cyclic Dienones: Determination of Absolute Configurations and Origins of Enantioselectivity

Autor: Jeanne Crassous, Sophie Colombel-Rouen, Thomas Vives, Charlie Blons, Prasad L. Polavarapu, Sean N. Cuskelly, Marie S. T. Morin, Christophe Crévisy, Craig M. Williams, Paul V. Bernhardt, Thibault E. Schmid, Olivier Baslé, Thibault Reynaldo, Hélène Gérard, Marc Mauduit, Stéphanie Halbert, Cody L. Covington

Publikováno v: Chemistry-A European Journal
Chemistry-A European Journal, 2017, 23 (31), pp.7515-7525. ⟨10.1002/chem.201606034⟩
Chemistry-A European Journal, Wiley-VCH Verlag, 2017, 23 (31), pp.7515-7525. ⟨10.1002/chem.201606034⟩

International audience; The first stereocontrolled Cu-catalyzed sequential 1,6/1,4-asymmetric conjugate addition (ACA) of C-metalated hard nucleophiles to cyclic dienones is reported. The use of DiPPAM (diphenylphosphinoazomethinylate) followed by a

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::dd8f6eaa8187218faea2af7fcec48497
https://doi.org/10.1002/chem.201606034

Catalytically Active Species in Copper/DiPPAM-Catalyzed 1,6-Asymmetric Conjugate Addition of Dialkylzinc to Dienones A Computational Overview

Autor: Charlie Blons, Renata Marcia de Figueiredo, Jimmy Lauberteaux, Jean-Marc Campagne, Hélène Gérard, Marc Mauduit, Christophe Crévisy, Olivier Baslé, Stéphanie Halbert

Publikováno v: ChemCatChem
ChemCatChem, Wiley, 2019, 11 (16), pp.4108-4115. ⟨10.1002/cctc.201900233⟩
ChemCatChem, 2019, 11 (16), pp.4108-4115. ⟨10.1002/cctc.201900233⟩

International audience; Four different catalytically active species are computationally examined in order to investigate the mechanism of Cu/DiPPAM-catalyzed 1,6-conjugate addition of dialkylzinc to acyclic dienones. A DiPPAM-bridged Cu(alkyl)-Zn(ace

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5a513bc49f35ae725748fed869b0211d
https://hal-univ-rennes1.archives-ouvertes.fr/hal-02181830

Modelling the surface of amorphous dehydroxylated silica: the influence of the potential on the nature and density of defects

Autor: Christophe Raynaud, Odile Eisenstein, Simona Ispas, Stéphanie Halbert

Publikováno v: New Journal of Chemistry
New Journal of Chemistry, 2017, 42 (2), pp.1356-1367. ⟨10.1039/C7NJ03922K⟩
New Journal of Chemistry, Royal Society of Chemistry, 2017, 42 (2), pp.1356-1367. ⟨10.1039/C7NJ03922K⟩

Molecular dynamics (MD) calculations using two effective pair potentials BKS and CHIK have been carried out to represent the structures of the amorphous dehydroxylated silica surface in liquid (3400 and 2500 K) and glassy (1000 and 300 K) states. Pre

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ea3a4e29621f8876b890fae50fe20e79
https://hal.science/hal-01689194