INVESTIGADORES
ERBEN Mauricio Federico
artículos
Título:
Determination of Heats of Tautomerization Nitrile-Ketenimine by Mass Spectrometry
Autor/es:
SARAVÍ CISNEROS, HEBE; ERBEN, MAURICIO FEDERICO; DELLA VÉDOVA, CARLOS OMAR; ALLEGRETTI, PATRICIA E.; FURLONG, JORGE J. P.
Revista:
EUROPEAN JOURNAL OF MASS SPECTROMETRY
Editorial:
IM PUBLICATIONS
Referencias:
Lugar: from IM Publications, Charlton, Chichester; Año: 2011 vol. 17 p. 125 - 143
ISSN:
1469-0667
Resumen:
Tautomerism of some nitriles has been studied by mass spectrometry. The analysis of the corresponding mass spectra has allowed to assign some fragmentations to specific tautomers and to determine heats of tautomerization through temperature effects and electron energy studies. Experimental determinations are supported by theoretical calculations. GAUSSIAN 03/ DFT-B3LYP results indicate that this tautomeric equilibrium can be studied by the experimental spectrometric strategy and the theoretical methodology employed.
