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Fluorine NMR spectra of pentafluorophenyl derivatives
Author(s) -
Pushkina L. N.,
Stepanov A. P.,
Zhukov V. S.,
Naumov A. D.
Publication year - 1972
Publication title -
organic magnetic resonance
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0030-4921
DOI - 10.1002/mrc.1270040503
Subject(s) - chemical shift , coupling constant , fluorine , chemistry , spectral line , computational chemistry , nmr spectra database , fluorine 19 nmr , spin (aerodynamics) , coupling (piping) , nuclear magnetic resonance spectroscopy , organic chemistry , thermodynamics , materials science , physics , quantum mechanics , metallurgy
The fluorine chemical shifts and spin‐spin coupling constants of 65 pentafluorophenyl derivatives with widely varying organic substituents were examined. Useful correlations of the three meta coupling constants with the chemical shifts of the para fluorine were found. It is suggested that these relationships be extended to all compounds of the type considered in order to determine the signs and approximate values of meta coupling constants. Equations for correlation of the fluorine chemical shifts with the Taft constants are presented. The possibility of calculating the Taft constants from the 19 F NMR spectra of pentafluorophenyl compounds is being discussed.