Abstract
The enthalpies of formation (ΔH f o) for 24 hydrocarbon radicals (R•), mainly polycyclic aromatic radicals with the complex structure, were determined from the published data on bond dissociation energies. The ΔH f o values of the corresponding molecules were calculated, in the majority of cases, by the macroincrement method. Calculations by the group contribution method were performed. Some ΔH f o(R•) values were compared to those calculated by the additive-group method. Calculations were performed, and the conjugation energies of the radicals were discussed. The errors of determination of the ΔH f o(R•) values found were estimated. Due to this work, the database for ΔH f o values of hydrocarbon radicals was increased more than by 25%.
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Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 4, pp. 637–642, April, 1998.
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Orlov, Y.D., Zaripov, R.K. & Lebedev, Y.A. Determination of enthalpies of formation of organic free radicals from bond dissociation energies 1. Hydrocarbon radicals. Russ Chem Bull 47, 615–620 (1998). https://doi.org/10.1007/BF02495964
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DOI: https://doi.org/10.1007/BF02495964