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Título
Picolinic and Isonicotinic Acids: A Fourier Transform Microwave Spectroscopy Study
Autor
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
Patrocinador
Junta de Castilla y León (programa de apoyo a proyectos de investigación – Ref. VA175U13)
Version del Editor
Propietario de los Derechos
© American Chemical Society
Idioma
eng
Derechos
openAccess
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