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Shape-Shifting Molecules: Unveiling the Valence Tautomerism Phenomena in Bare Barbaralones.

Authors :
Sanz-Novo M
Mato M
León Í
Echavarren AM
Alonso JL
Source :
Angewandte Chemie (International ed. in English) [Angew Chem Int Ed Engl] 2022 Apr 25; Vol. 61 (18), pp. e202117045. Date of Electronic Publication: 2022 Mar 24.
Publication Year :
2022

Abstract

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.<br /> (© 2022 The Authors. Angewandte Chemie International Edition published by Wiley-VCH GmbH.)

Details

Language :
English
ISSN :
1521-3773
Volume :
61
Issue :
18
Database :
MEDLINE
Journal :
Angewandte Chemie (International ed. in English)
Publication Type :
Academic Journal
Accession number :
35165988
Full Text :
https://doi.org/10.1002/anie.202117045