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Influence of the introduction of fluorine atoms on the 13 C NMR spectra of acrylic esters
Author(s) -
MarivalHodebar Laurence,
Tordeux Marc,
Wakselman Claude
Publication year - 1999
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/(sici)1097-458x(199908)37:8<579::aid-mrc497>3.0.co;2-x
Subject(s) - chemistry , fluorine , chemical shift , spectral line , perturbation (astronomy) , fluorine 19 nmr , nmr spectra database , carbon 13 nmr , computational chemistry , medicinal chemistry , stereochemistry , nuclear magnetic resonance spectroscopy , organic chemistry , astronomy , quantum mechanics , physics
The effect of progressive introduction of fluorine atoms on the 13 C chemical shifts in the β , β ‐dimethylacrylic ester series is examined. The main perturbation is located at the olefinic carbons positions. Comparison of the various data allows the calculation of increments corresponding to the substitution of methyl groups by CH 2 F, CHF 2 or CF 3 groups. The perturbation induced on the vinylic carbons increases roughly with the number of fluorine atoms. However, an influence of the stereochemistry is observed in the CH 2 F and CF 3 series. The increments are not additive for compounds bearing two highly fluorinated groups at the β‐positions. Copyright © 1999 John Wiley & Sons, Ltd.