Revisiting the Rearrangement of Dewar Thiophenes

Sara Gómez, Edison Osorio, Eugenia Dzib, Rafael Islas, Albeiro Restrepo, Gabriel Merino

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Abstract

The mechanism for the walk rearrangement in Dewar thiophenes has been clarified theoretically by studying the evolution of chemical bonds along the intrinsic reaction coordinates. Substituent effects on the overall mechanism are assessed by using combinations of the ring (R = H, CF3) and traveling (X = S, S = O, and CH2) groups. The origins of fluxionality in the S–oxide of perfluorotetramethyl Dewar thiophene are uncovered in this work. Dewar rearrangements are chemical processes that occur with a high degree of synchronicity. These changes are directly related to the activation energy.
Original languageEnglish
Pages (from-to)284-1
Number of pages284
JournalMolecules
Volume25
Issue number2
DOIs
StatePublished - 7 Jan 2020

Cite this

Gómez, S., Osorio, E., Dzib, E., Islas, R., Restrepo, A., & Merino, G. (2020). Revisiting the Rearrangement of Dewar Thiophenes. Molecules, 25(2), 284-1. https://doi.org/10.3390/molecules25020284