Publicaciones en colaboración con investigadores/as de Universitat Autònoma de Barcelona (13)

2021

  1. Understanding the Use of Phosphine-(EWO) Ligands in Negishi Cross-Coupling: Experimental and Density Functional Theory Mechanistic Study

    Organometallics, Vol. 40, Núm. 14, pp. 2272-2282

2017

  1. Speciation of ZnMe2, ZnMeCl, and ZnCl2 in Tetrahydrofuran (THF), and Its Influence on Mechanism Calculations of Catalytic Processes

    ACS Catalysis, Vol. 7, Núm. 5, pp. 3575-3583

2013

  1. Stille coupling involving bulky groups feasible with gold cocatalyst

    Angewandte Chemie - International Edition, Vol. 52, Núm. 8, pp. 2189-2193

2011

  1. Cationic intermediates in the Pd-catalyzed negishi coupling. Kinetic and density functional theory study of alternative transmetalation pathways in the Me-Me coupling of ZnMe2 and trans -[PdMeCl(PMePh2) 2]

    Journal of the American Chemical Society, Vol. 133, Núm. 34, pp. 13519-13526

2010

  1. Palladium round trip in the Negishi coupling of trans- [PdMeCl(PMePh 2)2] with ZnMeCl: An experimental and DFT study of the transmetalation step

    Chemistry - A European Journal, Vol. 16, Núm. 29, pp. 8596-8599

2009

  1. C-C reductive elimination in palladium complexes, and the role of coupling additives. A DFT study supported by experiment

    Journal of the American Chemical Society, Vol. 131, Núm. 10, pp. 3650-3657

  2. The role of amide ligands in the stabilization of Pd(II) tricoordinated complexes: Is the Pd-NR2 bond order single or higher?

    Theoretical Chemistry Accounts, Vol. 123, Núm. 1-2, pp. 75-84

2008

  1. Mechanism of the rhodium-catalyzed asymmetric isomerization of allylamines to enamines

    Chemistry - A European Journal, Vol. 14, Núm. 11, pp. 3323-3329

  2. Observation of a hidden intermediate in the stille reaction. Study of the reversal of the transmetalation step

    Journal of the American Chemical Society, Vol. 130, Núm. 32, pp. 10518-10520

  3. When are tricoordinated PdII species accessible? stability trends and mechanistic consequences

    Chemistry - A European Journal, Vol. 14, Núm. 29, pp. 8986-8994

2006

  1. A critical analysis of the cyclic and open alternatives of the transmetalation step in the stille cross-coupling reaction

    Journal of the American Chemical Society, Vol. 128, Núm. 45, pp. 14571-14578

  2. Formation of a vinyliminium palladium. Complex by C-C coupling in vinylcarbene palladium aryl complexes

    Organometallics, Vol. 25, Núm. 5, pp. 1293-1297

1996

  1. Oxidative Addition of Group 14 Element Hydrido Compounds to OsH2(η2-CH2=CHEt)-(CO)(PiPr 3)2: Synthesis and Characterization of the First Trihydrido-Silyl, Trihydrido-Germyl, and Trihydrido-Stannyl Derivatives of Osmium(IV)

    Inorganic Chemistry, Vol. 35, Núm. 5, pp. 1250-1256