Estimation of O-H bond dissociation energies in alcohols and acids from kinetic data

被引：13

作者：

Denisova, TG ^{[1
]}

Denisov, ET ^{[1
]}

机构：

[1] Russian Acad Sci, Inst Problems Chem Phys, Chernogolovka 142432, Moscow Oblast, Russia

来源：

KINETICS AND CATALYSIS | 2006年 / 47卷 / 01期

关键词：

D O I：

10.1134/S0023158406010174

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The O-H bond dissociation energies (DO-H) in five alcohols and six acids have been determined from experimental data (rate constants of radical reactions). The ratio of the rate constants of the reactions (RO center dot)-O-1 + RH -> (ROH)-O-1 + R-center dot and (RO center dot)-O-i + RH -> (ROH)-O-i + R-center dot and the intersecting parabolas method are used in the estimation procedure. The DO-H values are used to calculate the activation energies and rate constants for hydrogen abstraction from 2-methylbutane, butene-1, and cumene by alkoxyl and carboxyl radicals. The geometric parameters of the transition state are calculated for these reactions.

引用

页码：121 / 130

页数：10

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