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Title: Picolinic and Isonicotinic Acids: A Fourier Transform Microwave Spectroscopy Study
Authors: Peña, Isabel
Franco, Vanina G.
López, Juan Carlos
Carlos Cabezas, Carlos
Alonso Hernández, José Luis
Issue Date: 2014
Publisher: American Chemical Society
Description: Producción Científica
Citation: 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.
Classification: Análisisi espectral
ISSN: 1089-5639
Peer Review: SI
DOI: 10.1021/jp509823v
Sponsor: Junta de Castilla y León (programa de apoyo a proyectos de investigación – Ref. VA175U13)
Publisher Version:
Rights Owner: © American Chemical Society
Language: eng
Rights: info:eu-repo/semantics/openAccess
Appears in Collections:DEP63 - Artículos de revista

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