RT info:eu-repo/semantics/article
T1 Shape‐shifting molecules: unveiling the valence tautomerism phenomena in bare barbaralones
A1 Sanz Novo, Miguel
A1 Mato, Mauro
A1 León Ona, Iker
A1 Echavarren, Antonio M.
A1 Alonso Hernández, José Luis
K1 Valence  isomerization
K1 Tautomerism
K1 Structure elucidation
K1 Rotational  spectroscopy
K1 23 Química
K1 2307 Química Física
AB 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.
PB Wiley
SN 1433-7851
YR 2022
FD 2022
LK https://uvadoc.uva.es/handle/10324/52505
UL https://uvadoc.uva.es/handle/10324/52505
LA eng
NO Angewandte Chemie International Edition, 2022,  vol. 61, e202117045.
NO Producción Científica
DS UVaDOC
RD 17-jul-2024