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    • SCIENTIFIC PRODUCTION
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    • Dpto. Química Física y Química Inorgánica
    • DEP63 - Artículos de revista
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    • DEP63 - Artículos de revista
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    Por favor, use este identificador para citar o enlazar este ítem:http://uvadoc.uva.es/handle/10324/22666

    Título
    Picolinic and Isonicotinic Acids: A Fourier Transform Microwave Spectroscopy Study
    Autor
    Peña Calvo, María IsabelAutoridad UVA
    Franco, Vanina G.
    López Alonso, Juan CarlosAutoridad UVA Orcid
    Cabezas, Carlos
    Alonso Hernández, José LuisAutoridad UVA Orcid
    Año del Documento
    2014
    Editorial
    American Chemical Society
    Descripción
    Producción Científica
    Documento Fuente
    Journal of Physical Chemistry A, 2014, 118 (48), pp 11373–11379
    Abstract
    The rotational spectra of laser ablated picolinic and isonicotinic acids have been studied using broadband chirped pulse (CP-FTMW) and narrowband molecular beam (MB-FTMW) Fourier transform microwave spectroscopies. Two conformers of picolinic acid, s-cis-I and s-cis-II, and one conformer of isonicotinic acid have been identified through the analysis of their rotational spectra. The values of the inertial defect and the quadrupole coupling constants obtained for the most stable s-cis-I conformer of picolinic acid, evidence the formation of an O–H···N hydrogen bond between the acid group and the endocyclic N atom. The stabilization provided by this hydrogen bond compensates the destabilization energy due to the adoption of a −COOH trans configuration in this conformer. Its rs structure has been derived from the rotational spectra of several 13C, 15N, and 18O species observed in their natural abundances. Mesomeric effects have been revealed by comparing the experimental values of the 14N nuclear quadrupole coupling constants in the isomeric series of picolinic, isonicotinic, and nicotinic acids.
    Palabras Clave
    Análisis espectral
    ISSN
    1089-5639
    Revisión por pares
    SI
    DOI
    10.1021/jp509823v
    Patrocinador
    Junta de Castilla y León (programa de apoyo a proyectos de investigación – Ref. VA175U13)
    Version del Editor
    http://pubs.acs.org/
    Propietario de los Derechos
    © American Chemical Society
    Idioma
    eng
    URI
    http://uvadoc.uva.es/handle/10324/22666
    Derechos
    openAccess
    Collections
    • DEP63 - Artículos de revista [223]
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