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Determination of heats of tautomerization nitrile-ketenimine by mass spectrometry
Authors:Saraví Cisneros Hebe  Erben Mauricio F  Della Védova Carlos O  Laurella Sergio  Allegretti Patricia E  Furlong Jorge J P
Institution:LADECOR (UNLP), División Química Orgánica, Departamento de Química, Facultad de Ciencias Exactas, Universidad Nacional de La Plata, Calle 47 y 115, (1900) La Plata, República Argentina.
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 employed.
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