Enol and enethiol occurrence for some ketones and thioketones : Mass spectrometry and theoretical calculations

The mass spectra of ketones can provide valuable information with regards to keto-enol equilibria occurring in the gas phase. Mass spectra of selected ketones and thioketones have been analysed and specific fragmentation assignments have been done to characterised and weigh co-existing keto and enol...

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Autores principales:	Allegretti, Patricia Ercilia, Schiavoni, María de las Mercedes, Cortizo, María Susana, Castro, Eduardo A., Furlong, Jorge Javier Pedro
Formato:	Articulo
Lenguaje:	Inglés
Publicado:	2004
Materias:	Ciencias Exactas Química ketone ketones thiol derivative mass spectrometry equilibrium constant tautomerism theoretical calculations
Acceso en línea:	http://sedici.unlp.edu.ar/handle/10915/36595 http://www.mdpi.com/1422-0067/5/11/294
Aporte de:	SEDICI (UNLP) de Universidad Nacional de La Plata

id	I19-R120-10915-36595
record_format	dspace
institution	Universidad Nacional de La Plata
institution_str	I-19
repository_str	R-120
collection	SEDICI (UNLP)
language	Inglés
topic	Ciencias Exactas Química ketone ketones thiol derivative mass spectrometry equilibrium constant tautomerism theoretical calculations
spellingShingle	Ciencias Exactas Química ketone ketones thiol derivative mass spectrometry equilibrium constant tautomerism theoretical calculations Allegretti, Patricia Ercilia Schiavoni, María de las Mercedes Cortizo, María Susana Castro, Eduardo A. Furlong, Jorge Javier Pedro Enol and enethiol occurrence for some ketones and thioketones : Mass spectrometry and theoretical calculations
topic_facet	Ciencias Exactas Química ketone ketones thiol derivative mass spectrometry equilibrium constant tautomerism theoretical calculations
description	The mass spectra of ketones can provide valuable information with regards to keto-enol equilibria occurring in the gas phase. Mass spectra of selected ketones and thioketones have been analysed and specific fragmentation assignments have been done to characterised and weigh co-existing keto and enol tautomers. Thioketones are of particular interest due to their tendency to shift the tautomeric equilibrium towards the enethiol form. The predictive value of this methodology is not only supported by the influence of these compound's nature and size of the substituent on these equilibria but also by the good correlation found between the selected fragments abundances ratio and semi-empirical calculation (AM1) of the corresponding heats of tautomerization.
format	Articulo Articulo
author	Allegretti, Patricia Ercilia Schiavoni, María de las Mercedes Cortizo, María Susana Castro, Eduardo A. Furlong, Jorge Javier Pedro
author_facet	Allegretti, Patricia Ercilia Schiavoni, María de las Mercedes Cortizo, María Susana Castro, Eduardo A. Furlong, Jorge Javier Pedro
author_sort	Allegretti, Patricia Ercilia
title	Enol and enethiol occurrence for some ketones and thioketones : Mass spectrometry and theoretical calculations
title_short	Enol and enethiol occurrence for some ketones and thioketones : Mass spectrometry and theoretical calculations
title_full	Enol and enethiol occurrence for some ketones and thioketones : Mass spectrometry and theoretical calculations
title_fullStr	Enol and enethiol occurrence for some ketones and thioketones : Mass spectrometry and theoretical calculations
title_full_unstemmed	Enol and enethiol occurrence for some ketones and thioketones : Mass spectrometry and theoretical calculations
title_sort	enol and enethiol occurrence for some ketones and thioketones : mass spectrometry and theoretical calculations
publishDate	2004
url	http://sedici.unlp.edu.ar/handle/10915/36595 http://www.mdpi.com/1422-0067/5/11/294
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bdutipo_str	Repositorios
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Enol and enethiol occurrence for some ketones and thioketones : Mass spectrometry and theoretical calculations

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