Revisiting the rearrangement of Dewar thiophenes
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Archivos
Fecha
2020
Profesor/a Guía
Facultad/escuela
Idioma
en
Título de la revista
ISSN de la revista
Título del volumen
Editor
MDPI AG
Nombre de Curso
Licencia CC
Attribution 4.0 International (CC BY 4.0)
Licencia CC
Resumen
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.
Notas
Indexación: Scopus.
Palabras clave
Dewar thiophenes, Fluxionality, One-electron bonds, Reaction mechanisms
Citación
Molecules, Volume 25, Issue 2, 2020, Article number 284
DOI
DOI: 10.3390/molecules25020284