On the effectiveness of the EPR radical equilibration technique in estimating O-H bond dissociation enthalpies of catechols and other complex polyphenols

被引：14

作者：

Zhang, HY ^{[1
]}

机构：

[1] Shandong Univ Technol, Lab Computat Biol, Zibo 255049, Peoples R China

[2] Shandong Univ Technol, Shandong Prov Res Ctr Bioinformat Engn & Tech, Zibo 255049, Peoples R China

来源：

NEW JOURNAL OF CHEMISTRY | 2004年 / 28卷 / 11期

关键词：

D O I：

10.1039/b409784j

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Although the EPR radical equilibration technique can give reliable O-H bond dissociation enthalpies (BDEs) for thermodynamically equilibrated species, it is still a challenge to deduce the O-H BDEs of catechols and other complex polyphenols through group-additivity analysis using this technique, if multi-step reactions are involved to reach the thermodynamic equilibrium, because in this case the group additivity is disrupted.

引用

页码：1284 / 1285

页数：2

共 43 条

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