The pK(a) values of ionisation of a set of phenols ortho, meta and para substituted are studied by spectrophotometry and C-13 NMR spectroscopy. A dual substituent analysis of equilibrium and NMR results, according to the Swain and Lupton procedure, is presented. The results of this analysis allow the assignment of the contribution of field and resonance contributions, both on equilibrium constants and chemical shifts.
Substituent effects on ionisation and 13C NMR properties of some monosubstituted phenols. A potentiometric, spectrophotometric and 13C NMR study
CRISPONI, GUIDO;CASU, MARIANO;NURCHI, VALERIA MARINA;CESARE MARINCOLA, FLAMINIA;PIVETTA, TIZIANA;
2002-01-01
Abstract
The pK(a) values of ionisation of a set of phenols ortho, meta and para substituted are studied by spectrophotometry and C-13 NMR spectroscopy. A dual substituent analysis of equilibrium and NMR results, according to the Swain and Lupton procedure, is presented. The results of this analysis allow the assignment of the contribution of field and resonance contributions, both on equilibrium constants and chemical shifts.
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