INVESTIGADORES
DELLA VEDOVA Carlos Omar
artículos
Título:
Determination of Heats of Tautomerization Nitrile-Ketenimine by Mass Spectrometry
Autor/es:
HEBE SARAVÍ CISNEROS; MAURICIO F. ERBEN,; CARLOS O. DELLA VÉDOVA; PATRICIA E. ALLEGRETTI; JORGE J. P. FURLONG
Revista:
JOURNAL OF MASS SPECTROMETRY
Editorial:
JOHN WILEY & SONS LTD
Referencias:
Lugar: LOndres; Año: 2011 vol. 17 p. 125 - 143
ISSN:
1076-5174
Resumen:
Abstract 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. The joint analysis of mass spectrometry and DFT-B3LYP data indicate that this tautomeric equilibrium can be studied by the experimental spectrometric strategy and the theoretical methodology employed.