Michael J. S. Dewar, Caoxian Jie
Abstract
AM1 Calculations indicate that the Cope rearrangement of 3,3-dicyanohexa-1,5-diene takes place by a synchronous pericyclic mechanism involving an aromatic transition state rather than by the biradicaloid path usual in chair Cope rearrangements.
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AM1 Calculations indicate that the Cope rearrangement of 3,3-dicyanohexa-1,5-diene takes place by a synchronous pericyclic mechanism involving an aromatic transition state rather than by the biradicaloid path usual in chair Cope rearrangements.
Key concepts: Pericyclic reaction, Cope rearrangement, Chemistry, Mechanism (biology), Diene, Computational chemistry, Stereochemistry, Philosophy