2024-03-29T12:48:37Zhttps://uvadoc.uva.es/oai/requestoai:uvadoc.uva.es:10324/525052022-12-22T12:33:23Zcom_10324_1186com_10324_931com_10324_894col_10324_1404
Shape‐shifting molecules: unveiling the valence tautomerism phenomena in bare barbaralones
Sanz Novo, Miguel
Mato, Mauro
León Ona, Iker
Echavarren, Antonio M.
Alonso Hernández, José Luis
Producción Científica
We report a state-of-the-art spectroscopic study of an archetypical barbaralone, conclusively revealing the valence tautomerism phenomena for this bistable molecular system. The two distinct 1- and 5-substituted valence tautomers have been isolated in a supersonic expansion for the first time and successfully characterized by high-resolution rotational spectroscopy. This work provides irrefutable experimental evidence of the [3,3]-rearrangement in barbaralones and highlights the use of rotational spectroscopy to analyze shape-shifting mixtures. Moreover, this observation opens the window toward the characterization of new fluxional systems in the isolation conditions of the gas phase and should serve as a reference point in the general understanding of valence tautomerism.
2022-03-16T12:14:59Z
2022-03-16T12:14:59Z
2022
info:eu-repo/semantics/article
Angewandte Chemie International Edition, 2022, vol. 61, e202117045.
1433-7851
https://uvadoc.uva.es/handle/10324/52505
10.1002/anie.202117045
Angewandte Chemie International Edition
1521-3773
eng
https://onlinelibrary.wiley.com/doi/abs/10.1002/anie.202117045
info:eu-repo/semantics/openAccess
http://creativecommons.org/licenses/by-nc-nd/4.0/
© 2022 The Authors
Attribution-NonCommercial-NoDerivatives 4.0 Internacional
Wiley
SI