2005/08/03 by Carlos Pérez del Valle, Anne Milet, Yves Gimbert +1 · 1 citation
Chemistry · Mathematics · #Asymmetric Hydrogenation and Catalysis #Organometallic Complex Synthesis and Catalysis #Catalytic Alkyne Reactions #Acetylene #Olefin fiber #Chemistry #Lewis acids and bases #Ligand (biochemistry) #Pauson–Khand reaction #Promoter #Base (topology) #Product (mathematics) #Combinatorial chemistry #Catalysis #Organic chemistry #Mathematics
paper · doi:10.1002/anie.200500955
openalex publication_date 2005/08/03 · openalex created_date 2025/10/10 · openalex updated_date 2026/01/13
Irreversiblity effect: The fundamental role of Lewis base promoters L in the Pauson–Khand reaction was studied by DFT calculations. Contrary to the currently held view, these promoters do not accelerate the departure of a second CO ligand from the acetylene dicobalt complex to create the requisite site for olefin coordination, but stabilize the olefin-insertion product (see scheme), so that product formation is essentially irreversible.