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
  • Yu. D. Orlov
  • Yu. A. Lebedev
Physical Chemistry
Received:

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.

     

Keywords

Oxygen Nitrogen Sulfur Experimental Data Entropy 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.
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Literature cited

  1. 1.
    Yu. D. Orlov and Yu. A. Lebedev, Izv. Akad. Nauk SSSR, Ser. Khim., 1074 (1984).Google Scholar
  2. 2.
    J. L. Franklin, J. Chem. Phys.,21, 2029 (1953).Google Scholar
  3. 3.
    H. E. O'Neal and S. W. Benson, Int. J. Chem. Kinet.,1, 221 (1969).Google Scholar
  4. 4.
    B. I. Istomin, Reaktsionnaya Sposobnost' Organicheskikh Soedinenii,11, 157 (1974).Google Scholar
  5. 5.
    L. V. Gurvich, G. V. Karachevtsev, V. N. Kondrat'ev, Yu. A. Lebedev, V. A. Medvedev, V. K. Potapov, Yu. S. Khodeev, Energy of the Scission of Chemical Bonds. Ionization Potentials and Electron Affinity, [in Russian], Nauka, Moscow (1974).Google Scholar
  6. 6.
    J. D. Cox and G. Pilcher, Thermochemistry of Organic and Organometallic Compounds, Academic Press, London-New York (1970).Google Scholar
  7. 7.
    J. A. Kerr, Chem. Rev.,66, 465 (1966).Google Scholar
  8. 8.
    L. Batt, T. S. Islam, and G. N. Rattray, Int. J. Chem. Kinet.,10, 931 (1978).Google Scholar
  9. 9.
    W. Tsang, Int. J. Chem. Kinet.,10, 173 (1978).Google Scholar
  10. 10.
    W. Tsang, Int. J. Chem. Kinet.,10, 41 (1978).Google Scholar
  11. 11.
    B. K. Janousek, K. J. Reed, and J. I. Brauman, J. Am. Chem. Soc.,102, 3125 (1980).Google Scholar
  12. 12.
    S. W. Benson, Thermochemical Kinetics, Wiley (1968).Google Scholar
  13. 13.
    V. N. Kondrat'ev, Usp. Khim.,26, 861 (1957).Google Scholar
  14. 14.
    I. L. Zaikin, Yu. Ya. Van-Chin-Syan, and K. S. Chuchmarev, Zh. Fiz. Khim.,49, 3069 (1975).Google Scholar
  15. 15.
    S. M. Benson, Chem. Rev.,78, 23 (1978).Google Scholar

Copyright information

© Plenum Publishing Corporation 1984

Authors and Affiliations

  • Yu. D. Orlov
    • 1
    • 2
  • Yu. A. Lebedev
    • 1
    • 2
  1. 1.Institute of Chemical PhysicsAcademy of Sciences of the USSRMoscow
  2. 2.Kalinin State UniversityUSSR

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