Published January 1, 2010 | Version v1
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Computational Study of Factors Controlling the Boat and Chair Transition States of Ireland-Claisen Rearrangements

  • 1. Bogazici Univ, Dept Chem, TR-34342 Istanbul, Turkey
  • 2. Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA

Description

The origins of the boat transition state preference in the Ireland-Claisen rearrangements Studied experimentally by Kishi and co-workers have been explored computationally with Density Functional Theory. Steric interactions in the chair transition states were identified as the principal reason for the boat transition state preference.

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