A DFT study on hetero-Diels-Alder reactions catalyzed by cobalt complexes: Lewis acidity enhancement as a consequence of spin transition caused by Lewis base coordination

Izumi Iwakura, Taketo Ikeno, Tohru Yamada

研究成果: Article査読

37 被引用数 (Scopus)

抄録

(Chemical Equation Presented) Density functional calculations on the hetero-Diels-Alder reaction catalyzed by 3-oxobutylideneaminatocobalt(II) and -cobalt(III) complexes revealed that axial coordination of an aldehyde as a Lewis base induces a spin transition in the CoIII catalytic cycle. The Lewis acidity of the complex is increased, the Co-Oaldehyde distance shortened (see picture; Co green, N blue, O red), and the enantioselectivity improved.

本文言語English
ページ(範囲)2524-2527
ページ数4
ジャーナルAngewandte Chemie - International Edition
44
17
DOI
出版ステータスPublished - 2005 4月 22

ASJC Scopus subject areas

  • 触媒
  • 化学 (全般)

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