Dynamic correlation diagrams for sigmatropic reactions based on orbital phase conservation theory

作者：Nohira Hiroyuki^*; Nohira Toshiyuki

来源：Journal of Theoretical and Computational Chemistry, 2017, 16(6): 1750055.

DOI：10.1142/S0219633617500559

• Bond theory
• dynamic correlation diagram
• orbital phase conservation theory
• sigmatropic rearrangement

For sigmatropic reactions, such as [1,3] and [1,5] hydrogen shifts, the Cope and Claisen rearrangements, and the Berson-Nelson rearrangement, no correlation diagrams consistent with the classical electronic formulas have been reported. Here, we report dynamic correlation diagrams for these sigmatropic reactions based on orbital phase conservation theory. The diagrams are consistent with both the selection rules of sigmatropic reactions proposed by Woodward and Hoffmann and classical electronic formulas.

• 出版日期2017-9