Substituent effects on ionisation and (13)C NMR properties of some monosubstituted phenols A potentiometric, spectrophotometric and (13)C NMR study.

作者信息

Crisponi Guido, Casu Mariano, Nurchi Valeria Marina, Cesare-Marincola Flaminia, Pivetta Tiziana, Silvagni Roberta

机构信息

Dipartimento di Chimica Inorganica e Analitica, Università di Cagliari, Complesso Universitario di Monserrato, 09042 Monserrato, Cagliari, Italy.

出版信息

Talanta. 2002 Mar 4;56(3):441-9. doi: 10.1016/s0039-9140(01)00568-9.

The pK(a) values of ionisation of a set of phenols ortho, meta and para substituted are studied by spectrophotometry and (13)C 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.