Autor según el artículo: Sanz-Novo, Miguel; Mato, Mauro; Leon, Iker; Echavarren, Antonio M.; Alonso, Jose L.;
Departamento: Química Analítica i Química Orgànica
Autor/es de la URV: ECHAVARREN PABLOS, ANTONIO / Mato Gómez, Mauro
Palabras clave: X-ray crystallography Valence isomerization Tautomerism Structure elucidation Spectroscopy Spectra Solid-state Signatures Shapeshifting molecules Rotational spectroscopy Reaction pathways Degenerate cope rearrangement C-13 nmr Bullvalene
Resumen: 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.
Áreas temáticas: Química Medicina ii Medicina i Materiais Interdisciplinar General medicine General chemistry Farmacia Engenharias ii Ciências biológicas iii Ciências biológicas ii Ciências biológicas i Chemistry, multidisciplinary Chemistry (miscellaneous) Chemistry (all) Chemistry Catalysis Astronomia / física
Acceso a la licencia de uso: https://creativecommons.org/licenses/by/3.0/es/
Direcció de correo del autor: antoniomaria.echavarren@urv.cat
Identificador del autor: 0000-0002-6418-7930
Fecha de alta del registro: 2024-09-07
Versión del articulo depositado: info:eu-repo/semantics/publishedVersion
Enlace a la fuente original: https://onlinelibrary.wiley.com/doi/10.1002/anie.202117045
URL Documento de licencia: https://repositori.urv.cat/ca/proteccio-de-dades/
Referencia al articulo segun fuente origial: Angewandte Chemie (International Ed. Print). 61 (18): e202117045-
Referencia de l'ítem segons les normes APA: Sanz-Novo, Miguel; Mato, Mauro; Leon, Iker; Echavarren, Antonio M.; Alonso, Jose L.; (2022). Shape-Shifting Molecules: Unveiling the Valence Tautomerism Phenomena in Bare Barbaralones. Angewandte Chemie (International Ed. Print), 61(18), e202117045-. DOI: 10.1002/anie.202117045
DOI del artículo: 10.1002/anie.202117045
Entidad: Universitat Rovira i Virgili
Año de publicación de la revista: 2022
Tipo de publicación: Journal Publications
Repositori URV