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...
| Autores principales: | , , , , |
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| Formato: | Articulo |
| Lenguaje: | inglés |
| Publicado: |
2004
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| Acceso en línea: | http://sedici.unlp.edu.ar/handle/10915/36595 |
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| _version_ | 1862014487755751424 |
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| author | Allegretti, Patricia Ercilia Schiavoni, María de las Mercedes Cortizo, María Susana Castro, Eduardo Alberto Furlong, Jorge Javier Pedro |
| author_facet | Allegretti, Patricia Ercilia Schiavoni, María de las Mercedes Cortizo, María Susana Castro, Eduardo Alberto Furlong, Jorge Javier Pedro |
| author_sort | Allegretti, Patricia Ercilia |
| collection | Repositorio Sedici - Comunidad |
| 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 |
| id | I89-R6-10915-36595 |
| institution | UNLP - Facultad de Arquitectura y Urbanismo |
| institution_str | I-89 |
| language | English |
| publishDate | 2004 |
| record_format | dspace |
| repository_str | R-6 |
| spelling | I89-R6-10915-365952026-02-24T16:45:31Z http://sedici.unlp.edu.ar/handle/10915/36595 Enol and enethiol occurrence for some ketones and thioketones : Mass spectrometry and theoretical calculations Allegretti, Patricia Ercilia Schiavoni, María de las Mercedes Cortizo, María Susana Castro, Eduardo Alberto Furlong, Jorge Javier Pedro 2004-11 2014-06-13T19:00:52Z en Ciencias Exactas Química ketone ketones thiol derivative mass spectrometry equilibrium constant tautomerism 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 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. Facultad de Ciencias Exactas Articulo Articulo http://creativecommons.org/licenses/by/3.0/ Creative Commons Attribution 3.0 Unported (CC BY 3.0) application/pdf 294-300 |
| 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 Alberto Furlong, Jorge Javier Pedro Enol and enethiol occurrence for some ketones and thioketones : Mass spectrometry and theoretical calculations |
| title | 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_short | 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 |
| topic | Ciencias Exactas Química ketone ketones thiol derivative mass spectrometry equilibrium constant tautomerism theoretical calculations |
| url | http://sedici.unlp.edu.ar/handle/10915/36595 |
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