Reactivity of natural phenols in radical reactions

被引：0

作者：

T. G. Denisova

E. T. Denisov

机构：

[1] Russian Academy of Sciences,Institute of Problems of Chemical Physics

来源：

Kinetics and Catalysis | 2009年 / 50卷

关键词：

Quercetin; Catechin; Interatomic Distance; Kaempferol; Myricetin;

D O I：

暂无

中图分类号：

学科分类号：

摘要：

Activation enthalpies and energies and the rate constants of reactions with peroxyl, alkyl, and thiyl radicals (76 reactions) were calculated for a group of natural antioxidants (19 monohydroxy and polyhydroxy phenols). The calculation was performed with the use of the model of a radical abstraction reaction as the intersection of two parabolic potential curves. The results of the calculation were compared with experimental data: the average discrepancy in the activation energies of the reactions RO2• + ArOH was 0.8 kJ/mol. Interatomic distances in the reaction centers of the transition states of the test reactions were calculated. Factors affecting the reactivity of these compounds are discussed.

引用

页码：335 / 343

页数：8

共 36 条

[1] Burlakova E.B.(1995)undefined Khim. Fiz. 14 151-undefined
[2] Krashakov S.A.(1986)undefined Acc. Chem. Res. 19 194-undefined
[3] Khrapova N.G.(1997)undefined Usp. Khim. 66 953-undefined
[4] Burton G.A.(2004)undefined Kinet. Katal. 45 877-undefined
[5] Ingold K.U.(2004)undefined Neftekhimiya 44 278-undefined
[6] Denisov E.T.(2005)undefined Usp. Khim. 74 905-undefined
[7] Denisova T.G.(2009)undefined Int. J. Chem. Kinet. 41 284-undefined
[8] Denisov E.T.(1992)undefined J. Am. Chem. Soc. 114 4589-undefined
[9] Denisova T.G.(1999)undefined J. Am. Chem. Soc. 121 507-undefined
[10] Denisov E.T.(1993)undefined J. Org. Chem. 58 7416-undefined

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