Several terpenes are known that can undergo a Cope rearrangement. Prominent examples include germacrene A and hedycaryol that show a Cope rearrangement already slightly above room temperature. In the present study the Cope rearrangements of several terpenes and eventually co‐occurring thermal E/Z isomerisations were investigated experimentally for their minimum required temperatures and for their states of equilibrium. The experimental findings were supported by computational assessments of free activation energies (ΔG‡) as well as relative Gibbs free energies of the reactants (ΔG).

中文翻译：

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实验与理论的结合：萜类烃的 Cope 重排和热 E/Z 异构化


已知有几种萜烯可以进行 Cope 重排。突出的例子包括germacrene A和hedycaryol，它们在略高于室温的温度下显示出Cope重排。在本研究中，通过实验研究了几种萜烯的 Cope 重排和最终同时发生的热 E/Z 异构化，以确定其最低所需温度和平衡状态。实验结果得到了自由活化能 (ΔG‡) 以及反应物相对吉布斯自由能 (ΔG) 的计算评估的支持。