Determination of Heats of Tautomerization of Nitrile—Ketenimine by Mass Spectrometry-Reference-Cited by-同舟云学术

Determination of Heats of Tautomerization of Nitrile—Ketenimine by Mass Spectrometry

Published:2011-04 Issue:2 Volume:17 Page:125-143
ISSN:1469-0667
Container-title:European Journal of Mass Spectrometry
language:en
Short-container-title:Eur J Mass Spectrom (Chichester)

Author:

Cisneros Hebe Saraví¹,Erben Mauricio F.²,Della Védova Carlos O.²³,Laurella Sergio¹,Allegretti Patricia E.¹,Furlong Jorge J.P.¹

Affiliation:

1. 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

2. CEQUINOR (UNLP-CONICET, CCT La Plata), Departamento de Química, Facultad de Ciencias Exactas, Universidad Nacional de La Plata. CC 962, (1900) La Plata, República Argentina

3. Laboratorio de Servicios a la Industria y al Sistema Científico, LaSeISiC (UNLP-CIC-CONICET), Camino Centenario e/505 y 508, (1903) Gonnet, República Argentina

Abstract

Tautomerism of some nitriles has been studied by mass spectrometry. The analysis of the corresponding mass spectra has allowed some fragmentations to specific tautomers to be assigned and the heats of tautomerization to be determined 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.

Publisher

SAGE Publications

Subject

Spectroscopy,Atomic and Molecular Physics, and Optics,General Medicine

Link

http://journals.sagepub.com/doi/pdf/10.1255/ejms.1112

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