Enthalpies of the formation of aliphatic carbonyl-containing radicals

被引:0
作者
Yu. D. Orlov
E. M. Chernova
V. V. Turovtsev
机构
[1] Tver State University,
来源
Russian Journal of Physical Chemistry A | 2012年 / 86卷
关键词
free radicals; enthalpy of the formation; “structure-property” relation; additive group approach;
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摘要
A collection of data on enthalpies of the formation(ΔfHo) of aliphatic carbonyl-containing radicals is analyzed and expanded. The ΔfHo values for 29 carbonyl-containing radicals are determined for the first time, and are strongly revised for 17 carbonyl-containing radicals using the literature data on the dissociation energies of the bonds in molecules. The data is analyzed on the basis of the structureproperty (enthalpy of formation) relation within the additive-group approach, with the determination and specification of the parameters. It is concluded that the ΔfHo values of carbonyl-containing radicals calculated from the obtained parameters (a total of 96 compounds was considered) agree well with the experimental data.
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页码:175 / 183
页数:8
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