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Calculation of the entropy of formation of free radicals and the dissociation energy of chemical bonds by the method of group contributions

Communication 2. Radicals containing O, N, or S

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Bulletin of the Academy of Sciences of the USSR, Division of chemical science Aims and scope

Conclusions

  1. 1.

    From an analysis of experimental data using the additive group approach, a scheme has been developed for calculating the enthalpy of formation, ΔHf∘(R), of radicals containing oxygen, nitrogen, and sulfur.

  2. 2.

    Parameters have been developed that enable ΔHf∘(R) and bond scission energy to be calculated in good agreement with experimental data.

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Authors and Affiliations

  1. Institute of Chemical Physics, Academy of Sciences of the USSR, Moscow

    Yu. D. Orlov & Yu. A. Lebedev

  2. Kalinin State University, USSR

    Yu. D. Orlov & Yu. A. Lebedev

Authors
  1. Yu. D. Orlov
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  2. Yu. A. Lebedev
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Additional information

Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 6, pp. 1335–1339, June, 1984.

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Orlov, Y.D., Lebedev, Y.A. Calculation of the entropy of formation of free radicals and the dissociation energy of chemical bonds by the method of group contributions. Russ Chem Bull 33, 1227–1230 (1984). https://doi.org/10.1007/BF00948992

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  • DOI: https://doi.org/10.1007/BF00948992

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