Stability trends in carbocation intermediates stemming from germacrene A and hedycaryol
Naziha Tarannam,
Prashant Kumar Gupta,
Shani Zev
et al.
Abstract:In the current work, we analyzed the origin of difference in stabilities among the germacrene A and hedycaryol-derived carbocations. This study focused on twelve hydrocarbons derived from germacrene A and twelve from hedycaryol, which can be divided into three groups: four molecules containing 6-6 bicyclic rings, four 5-7 bicyclic compounds with the carbocation being on the seven-membered ring and the remaining four 5-7 bicyclic compounds with the carbocation on the five-membered ring. The variations in energy… Show more
Computations were used to model the rearrangement of the barbaralyl cation, a structure that demonstrates nonclassical bridging, homoconjugation, fluxionality, non-statistical dynamic effects, post-transition state bifurcations, and tunneling!
Computations were used to model the rearrangement of the barbaralyl cation, a structure that demonstrates nonclassical bridging, homoconjugation, fluxionality, non-statistical dynamic effects, post-transition state bifurcations, and tunneling!
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