2024-03-29T14:14:39Zhttps://uvadoc.uva.es/oai/requestoai:uvadoc.uva.es:10324/226662021-09-10T07:32:29Zcom_10324_1186com_10324_931com_10324_894col_10324_1404
Picolinic and Isonicotinic Acids: A Fourier Transform Microwave Spectroscopy Study
Peña Calvo, María Isabel
Franco, Vanina G.
López Alonso, Juan Carlos
Cabezas, Carlos
Alonso Hernández, José Luis
Análisis espectral
Producción Científica
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.
Junta de Castilla y León (programa de apoyo a proyectos de investigación – Ref. VA175U13)
2017-03-20T13:12:28Z
2017-03-20T13:12:28Z
2014
info:eu-repo/semantics/article
Journal of Physical Chemistry A, 2014, 118 (48), pp 11373–11379
1089-5639
http://uvadoc.uva.es/handle/10324/22666
10.1021/jp509823v
Journal of Physical Chemistry A
eng
http://pubs.acs.org/
Attribution-NonCommercial-NoDerivatives 4.0 International
info:eu-repo/semantics/openAccess
http://creativecommons.org/licenses/by-nc-nd/4.0/
© American Chemical Society
application/pdf
American Chemical Society
https://uvadoc.uva.es/bitstream/10324/22666/7/Picolinic-Isonicotinic-Acids-P.Print.pdf.jpg
Hispana
TEXT
http://creativecommons.org/licenses/by-nc-nd/4.0/
UVaDOC. Repositorio Documental de la Universidad de Valladolid
http://uvadoc.uva.es/handle/10324/22666