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dc.date.accessioned 2023-04-12T16:56:00Z
dc.date.available 2023-04-12T16:56:00Z
dc.date.issued 2010-09
dc.identifier.uri http://sedici.unlp.edu.ar/handle/10915/151377
dc.description.abstract The tautomerism of some β-ketonitriles is investigated by the analysis of their mass spectra and theoretical calculations performed at the MP2/6-31G(d,p) level. The mass spectra of some β-ketonitriles can provide valuable information regarding the keto-enol and nitrile-ketenimine equilibria taking place in the gas phase. The predictive value of this methodology is supported by the influence of the nature and size of substituents on tautomeric equilibria and the rather good correlation existing between the abundance ratios of selected fragments. Results show that the tautomeric equilibria of these bifunctional compounds can be evaluated by mass spectrometry. en
dc.format.extent 485-496 es
dc.language en es
dc.subject Tautomerization es
dc.subject β-Ketonitriles es
dc.subject Mass spectrometry es
dc.subject Theoretical calculations es
dc.title Spectrometric studies and theoretical calculations of some β-ketonitriles en
dc.type Articulo es
sedici.identifier.other https://doi.org/10.1016/j.saa.2010.06.025 es
sedici.identifier.issn 1386-1425 es
sedici.creator.person Ruiz, Danila Luján es
sedici.creator.person Giussi, Juan Martín es
sedici.creator.person Albesa, Alberto Gustavo es
sedici.creator.person Schiavoni, María de las Mercedes es
sedici.creator.person Furlong, Jorge Javier Pedro es
sedici.creator.person Allegretti, Patricia Ercilia es
sedici.subject.materias Ciencias Exactas es
sedici.subject.materias Química es
sedici.description.fulltext true es
mods.originInfo.place Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas es
mods.originInfo.place Laboratorio de Estudio de Compuestos Orgánicos es
sedici.subtype Articulo es
sedici.rights.license Creative Commons Attribution 4.0 International (CC BY 4.0)
sedici.rights.uri http://creativecommons.org/licenses/by/4.0/
sedici.description.peerReview peer-review es
sedici.relation.journalTitle Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy es
sedici.relation.journalVolumeAndIssue vol. 77, no. 2 es


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Creative Commons Attribution 4.0 International (CC BY 4.0) Excepto donde se diga explícitamente, este item se publica bajo la siguiente licencia Creative Commons Attribution 4.0 International (CC BY 4.0)