Conclusions
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1.
A scheme was developed for calculation of the standard enthalpies of formation [δHf o(R•)] of haloalkyl, nitroalkyl, and halonitroalkyl radicals using a combination of the methods of atomic and group additivity and consideration of the nonvalence interactions of electronegative atoms and groups.
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2.
The proposed parametrization ensures the good precision of the calculations of the δHf o(R•) for these radicals and the energies of dissociation of the chemical bonds in the corresponding molecules.
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Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 7, pp. 1550–1555, July, 1984.
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Orlov, Y.D., Lebedev, Y.A. & Korsunskii, B.L. Calculation of the enthalpies of formation of free radicals and the energies of dissociation of chemical bonds by the group contribution method. Communication 3. Compounds with electronegative substituents. Russ Chem Bull 33, 1424–1428 (1984). https://doi.org/10.1007/BF00956518
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DOI: https://doi.org/10.1007/BF00956518