Mass Spectrometry of β-Ketoesters. Some Evidence of Their Tautomerism-Reference-Cited by-同舟云学术

Mass Spectrometry of β-Ketoesters. Some Evidence of Their Tautomerism

Published:2006-10 Issue:5 Volume:12 Page:317-330
ISSN:1469-0667
Container-title:European Journal of Mass Spectrometry
language:en
Short-container-title:Eur J Mass Spectrom (Chichester)

Author:

Allegretti Patricia E.¹,Castro Eduardo A.²,Furlong Jorge J.P.¹

Affiliation:

1. Laboratorio de Estudio de Compuestos Orgánicos (LADECOR), División Química Orgánica, Departamento de Química, Facultad de Ciencias Exactas, Universidad Nacional de La Plata, (1900) La Plata, Buenos Aires, Argentina

2. INIFTA (UNLP-CONICET-CIC), Departamento de Química, Facultad de Ciencias Exactas, Universidad Nacional de La Plata, Diagonal 113 y 64, Suc. 4, C. C. 16, (1900) La Plata, Buenos Aires, Argentina

Abstract

Mass spectrometric evidence of tautomerism is reported for β-ketoesters. The analysis of the corresponding mass spectra has allowed specific the assignment of fragment ions to tautomers. The predictive value of this methodology is supported by the influence of a substitution pattern of these compounds on the equilibria. Experimental data are strongly supported by Austin Model 1 semi-empirical calculations, indicating that mass spectrometry could be resourced as a tool for the investigation of tautomerism of neutral species in the gas phase.

Publisher

SAGE Publications

Subject

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

Link

http://journals.sagepub.com/doi/pdf/10.1255/ejms.819

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