Concerted or Stepwise: How Much Do Free-Energy Landscapes Tell Us about the Mechanisms of Elimination Reactions?

The base-catalyzed dehydration of benzene cis-1,2-dihydrodiols is driven by formation of an aromatic product as well as intermediates potentially stabilized by hyperaromaticity. Experiments exhibit surprising shifts in isotope effects, indicating an unusual mechanistic balance on the E2-E1cB continu...

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Bibliographic Details
Main Authors: Duarte Gonzalez, F, Gronert, S, Kamerlin, SCL
Format: Journal article
Language:English
Published: American Chemical Society 2014