Spectrometric and theoretical evidences for the occurrence of tautomeric structures of selected ketones

Citation
Pe. Allegretti et al., Spectrometric and theoretical evidences for the occurrence of tautomeric structures of selected ketones, J MOL ST-TH, 532, 2000, pp. 139-142
Citations number
19
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
ISSN journal
01661280 → ACNP
Volume
532
Year of publication
2000
Pages
139 - 142
Database
ISI
SICI code
0166-1280(20001117)532:<139:SATEFT>2.0.ZU;2-1
Abstract
The enolisation degree of ketones is generally favoured by the increase of the steric effect exerted by the substitution or to the carbonyl group. The analysis of the corresponding mass spectra has allowed us to assign unambi guously some fragmentations to specific tautomers and to establish an accep table correlation between the corresponding ion abundance ratios and the AM I MO theoretical calculation of the approximate enolisation equilibrium con stants. (C) 2000 Elsevier Science B.V. AU rights reserved.