Articles producció científica> Química Analítica i Química Orgànica

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

  • Identification data

    Identifier: imarina:9249012
  • Authors:

    Sanz-Novo, Miguel
    Mato, Mauro
    Leon, Iker
    Echavarren, Antonio M.
    Alonso, Jose L.
  • Others:

    Author, as appears in the article.: Sanz-Novo, Miguel; Mato, Mauro; Leon, Iker; Echavarren, Antonio M.; Alonso, Jose L.;
    Department: Química Analítica i Química Orgànica
    URV's Author/s: ECHAVARREN PABLOS, ANTONIO / Mato Gómez, Mauro
    Keywords: 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
    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.
    Thematic Areas: 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
    licence for use: https://creativecommons.org/licenses/by/3.0/es/
    Author's mail: antoniomaria.echavarren@urv.cat
    Author identifier: 0000-0002-6418-7930
    Record's date: 2024-07-20
    Papper version: info:eu-repo/semantics/publishedVersion
    Link to the original source: https://onlinelibrary.wiley.com/doi/10.1002/anie.202117045
    Licence document URL: http://repositori.urv.cat/ca/proteccio-de-dades/
    Papper original source: Angewandte Chemie (International Ed. Print). 61 (18): e202117045-
    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
    Article's DOI: 10.1002/anie.202117045
    Entity: Universitat Rovira i Virgili
    Journal publication year: 2022
    Publication Type: Journal Publications
  • Keywords:

    Catalysis,Chemistry,Chemistry (Miscellaneous),Chemistry, Multidisciplinary
    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
    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
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