Thermochemistry of radicals

The amount of experimental information available regarding the thermochemistry of radicals is limited because of the inherent instability of such species. Therefore, theory has a potentially useful complementary role to play. However, the theoretical determination of radical thermochemistry is not without its own difficulties, and thus a careful assessment of accuracy needs to be carried out before theoretical procedures can be used routinely in this area. Steps in this direction are described in this chapter. 

For a review on the thermochemistry of radicals see D.J. Henry, L. Radom, in J. Cioslowski (Ed.), Quantum-mechanical prediction of thermochemical data, understanding chemical reactivity, Vol. 22, Kluwer Academic Pubhshers, Dordrecht, 2001, pp. 161-198. 

Values for hydrocarbons accepted by lUPAC Task Force for Thermochemistry of Radicals of Relevance in Combustion and Atmospheric Chemistry [65] and ATcT values [66,84],... 

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