Substituent effects on the O-H bond dissociation enthalpies in phenolic compounds: agreements and controversies

被引:107
作者
Bizarro, MM
Cabral, BJC
dos Santos, RMB
Simoes, JAM [1 ]
机构
[1] Univ Lisbon, Fac Ciencias, Dept Quim & Bioquim, P-1700 Lisbon, Portugal
[2] Univ Lisbon, Ctr Fis Mat Condensada, P-1699 Lisbon, Portugal
[3] Univ Algarve, Unidade Ciencias & Tecnol Agrarias, P-8000 Faro, Portugal
关键词
D O I
10.1351/pac199971071249
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The available experimental data on O-H bond dissociation enthalpies in phenolic compounds indicate that the ring substituent effects on the thermodynamic stability of that bond can be predicted by using a group additivity method. However, the reliability of the estimates is still affected by the uncertainties assigned to many of those experimental results and also by the scarce information on the solvation of phenoxy radicals.
引用
收藏
页码:1249 / 1256
页数:8
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