A Simple Model for the Origin of Enantioselection and the Anti “Lock-and-Key” Motif in Asymmetric Hydrogenation of Enamides as Catalyzed by Chiral Diphosphine Complexes of Rh(I)

Artigo Revisado por pares

A Simple Model for the Origin of Enantioselection and the Anti “Lock-and-Key” Motif in Asymmetric Hydrogenation of Enamides as Catalyzed by Chiral Diphosphine Complexes of Rh(I)

2000; Wiley; Volume: 39; Issue: 16 Linguagem: Inglês

10.1002/1521-3773(20000818)39

ISSN

1521-3773

Autores

Clark R. Landis, Steven Feldgus,

Tópico(s)

Surface Chemistry and Catalysis

Resumo

Hybrid molecular orbital/molecular mechanics calculations are used to determine the origin of the "anti-lock-and-key" behavior in asymmetric catalytic hydrogenation. The computations provide a simple model to explain this behavior (see scheme), and agree with all relevant empirical data.

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A Simple Model for the Origin of Enantioselection and the Anti “Lock-and-Key” Motif in Asymmetric Hydrogenation of Enamides as Catalyzed by Chiral Diphosphine Complexes of Rh(I)