Revisiting the Rearrangement of Dewar Thiophenes

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

Resultado de la investigación: Contribución a una revistaArtículo

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.
Idioma originalInglés
Páginas (desde-hasta)284-1
Número de páginas284
PublicaciónMolecules
Volumen25
N.º2
DOI
EstadoPublicada - 7 ene 2020

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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
Gómez, Sara ; Osorio, Edison ; Dzib, Eugenia ; Islas, Rafael ; Restrepo, Albeiro ; Merino, Gabriel. / Revisiting the Rearrangement of Dewar Thiophenes. En: Molecules. 2020 ; Vol. 25, N.º 2. pp. 284-1.
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Gómez, S, Osorio, E, Dzib, E, Islas, R, Restrepo, A & Merino, G 2020, 'Revisiting the Rearrangement of Dewar Thiophenes', Molecules, vol. 25, n.º 2, pp. 284-1. https://doi.org/10.3390/molecules25020284

Revisiting the Rearrangement of Dewar Thiophenes. / Gómez, Sara; Osorio, Edison; Dzib, Eugenia; Islas, Rafael; Restrepo, Albeiro; Merino, Gabriel.

En: Molecules, Vol. 25, N.º 2, 07.01.2020, p. 284-1.

Resultado de la investigación: Contribución a una revistaArtículo

TY - JOUR

T1 - Revisiting the Rearrangement of Dewar Thiophenes

AU - Gómez, Sara

AU - Osorio, Edison

AU - Dzib, Eugenia

AU - Islas, Rafael

AU - Restrepo, Albeiro

AU - Merino, Gabriel

PY - 2020/1/7

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N2 - 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.

AB - 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.

U2 - 10.3390/molecules25020284

DO - 10.3390/molecules25020284

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JO - Molecules

JF - Molecules

SN - 1420-3049

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Gómez S, Osorio E, Dzib E, Islas R, Restrepo A, Merino G. Revisiting the Rearrangement of Dewar Thiophenes. Molecules. 2020 ene 7;25(2):284-1. https://doi.org/10.3390/molecules25020284