On the ring-opening of substituted cyclobutene to benzocyclobutene: analysis of pi delocalization, hyperconjugation, and ring strain
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On the ring-opening of substituted cyclobutene to benzocyclobutene: analysis of π delocalization, hyperconjugation, and ring strain.
The influence of several substituents on the ring-opening elementary step of cyclobutene-like systems is analyzed computationally in detail. We focus on trans-1,2-disiloxycyclobutene-like molecules. Electronic effects (hyperconjugation and π delocalization) and geometrical constraints are decoupled and allow for an instructive analysis. It is found that the energy difference between closed and ...
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تاریخ انتشار 2017