• español
  • English
  • français
  • Deutsch
  • português (Brasil)
  • italiano
    • español
    • English
    • français
    • Deutsch
    • português (Brasil)
    • italiano
    • español
    • English
    • français
    • Deutsch
    • português (Brasil)
    • italiano
    JavaScript is disabled for your browser. Some features of this site may not work without it.

    Parcourir

    Tout UVaDOCCommunautésPar date de publicationAuteursSujetsTitres

    Mon compte

    Ouvrir une session

    Statistiques

    Statistiques d'usage de visualisation

    Compartir

    Voir le document 
    •   Accueil de UVaDOC
    • PUBLICATIONS SCIENTIFIQUES
    • Departamentos
    • Dpto. Química Física y Química Inorgánica
    • DEP63 - Artículos de revista
    • Voir le document
    •   Accueil de UVaDOC
    • PUBLICATIONS SCIENTIFIQUES
    • Departamentos
    • Dpto. Química Física y Química Inorgánica
    • DEP63 - Artículos de revista
    • Voir le document
    • español
    • English
    • français
    • Deutsch
    • português (Brasil)
    • italiano

    Exportar

    RISMendeleyRefworksZotero
    • edm
    • marc
    • xoai
    • qdc
    • ore
    • ese
    • dim
    • uketd_dc
    • oai_dc
    • etdms
    • rdf
    • mods
    • mets
    • didl
    • premis

    Citas

    Por favor, use este identificador para citar o enlazar este ítem:https://uvadoc.uva.es/handle/10324/74224

    Título
    The effect of microsolvation on the structure, nuclear quadrupole coupling, and internal rotation: The methyl carbamate⋯(H2O)1–3 complexes
    Autor
    Pinacho Morante, PabloAutoridad UVA
    López Alonso, Juan CarlosAutoridad UVA Orcid
    Kisiel, Zbigniew
    Blanco Rodríguez, SusanaAutoridad UVA Orcid
    Año del Documento
    2024-04
    Descripción
    Producción Científica
    Documento Fuente
    The Journal of Chemical Physics, Abril 2024, Vol. 160, n. 16, p. 164315
    Résumé
    Microsolvation of the carbamate moiety delivers precise information on complexation effects on the N–C=O backbone and is of relevance to the peptide bond functionality. In this context, the mono-, di-, and trihydrated complexes of methyl carbamate have been studied in molecular expansion by high-resolution microwave spectroscopy, using chirped-pulse and Fabry–Perot resonator Fourier transform microwave instruments covering the frequency range from 2 to 18 GHz. From the rotational constants of the parent and the 18Ow substituted monoisotopologues, accurate values have been derived for the geometries of the hydrogen bond interactions. The nuclear quadrupole coupling constant χcc of the nitrogen nucleus provides a direct measure of complexation changes and decreases with the degree of hydration, whereas the hindered internal rotation barrier increases slightly with microsolvation. Both tendencies could have a common origin in the π-cooperative inductive effects as the microsolvation series progresses. All transitions are split by the internal rotation of the methyl top and the nuclear quadrupole coupling, and in the largest cluster, they are additionally split by an inversion motion.
    ISSN
    0021-9606
    Revisión por pares
    SI
    DOI
    10.1063/5.0204953
    Version del Editor
    https://pubs.aip.org/aip/jcp/article/160/16/164315/3286813/The-effect-of-microsolvation-on-the-structure
    Propietario de los Derechos
    © Autores
    Idioma
    eng
    URI
    https://uvadoc.uva.es/handle/10324/74224
    Tipo de versión
    info:eu-repo/semantics/acceptedVersion
    Derechos
    openAccess
    Aparece en las colecciones
    • DEP63 - Artículos de revista [324]
    Afficher la notice complète
    Fichier(s) constituant ce document
    Nombre:
    MCB_JCP_V11_CleanManuscript.pdf
    Tamaño:
    1.007Mo
    Formato:
    Adobe PDF
    Descripción:
    Articulo principal
    Thumbnail
    Voir/Ouvrir

    Universidad de Valladolid

    Powered by MIT's. DSpace software, Version 5.10