Skip to main content
SpringerLink
Log in

QSPR approach to the calculation of rate constants of homolysis of nitro compounds in different states of aggregation

2. The liquid phase

  • Published:
Russian Chemical Bulletin Aims and scope

Abstract

A method for theoretical estimation and prediction of rate constants of homolysis of C-N and N-N bonds is used for nitro compounds in the liquid phase. The method is based on the QSPR approach.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

References

  1. D. V. Sukhachev, T. S. Pivina, N. I. Zhokhova, N. S. Zefirov, and S. Zeman,Izv. Akad. Nauk, Ser. Khim., 1995, 1653 [Russ. Chem. Bull., 1995,44, 1585 (Engl. Transl.)].

    Google Scholar 

  2. T. S. Pivina, D. V. Sukhachev, L. K. Maslova, V. A. Shlyapochnikov, and N. S. Zefirov,Dokl. Akad. Nauk, 1993,330, 468 [Dokl. Chem., 1993,330 (Engl. Transl.)]

    Google Scholar 

  3. T. S. Pivina, D. V. Sukhachev, and N. S. Zefirov, inProc. Europyro 93, Strasbourg, France, 1993, 71.

  4. G. T. Afanas'ev, T. S. Pivina, and D. V. Sukhachev,PEP, 1993,18, 309.

    Google Scholar 

  5. D. V. Sukhachev, T. S. Pivina, V. A. Shlyapochnikov, E. A. Petrov, V. A. Palyulin, and N. S. Zefirov,Dokl. Akad. Nauk, 1993,323, 55 [Dokl. Chem., 1993,323 (Engl. Transl.)].

    Google Scholar 

  6. A. Tall and S. Zeman,Thermochim. Acta, 1985,93, 25.

    Google Scholar 

  7. B. A. Lur'e, L. M. Fedotina, and B. S. Svetlov, inTr. Mosk. Khim.-Tekhnol. Inst. im. D. I. Mendeleeva [Proc. of D. I. Mendeleev Moscow Inst, of Chem. Technol.], 1979,104, 5 (in Russian).

    Google Scholar 

  8. B. L. Korsunskii, L. Ya. Kiseleva, R. G. Gafurov, E. M. Sogomonyan, L. T. Eremenko, and F. I. Dubovitskii,Izv. Akad. Nauk SSSR, Ser. Khim., 1974, 1781 [Bull. Acad. Sci. USSR, Div. Chem. Sci., 1974,23 (Engl. Transl.)].

    Google Scholar 

  9. A. N. Pavlov, A. A. Fedotov, L. L. Pavlova, Yu. V. Gamer, and F. I. Dubovitskii, inKhimicheskaya fizika protsessov goreniya i vzryva [Chemical Physics of Combustion and Explosive Processes, Proc. 9th All-Union Symp. Combust. Explos.], Ed. V. N. Novozhilov, Nauka, Moscow, 1989, 103 (in Russian).

    Google Scholar 

  10. S. Zeman,Thermochim. Acta, 1992,202, 191.

    Google Scholar 

  11. G. V. Sitonina, B. L. Korsunskii, N. F. Pyatakov, V. G. Shvaiko, I. Sh. Abdrakhmanov, and F. I. Dubovitskii,Izv. Akad. Nauk SSSR, Ser. Khim., 1979, 311 [Bull. Acad. Sci. USSR, Div. Chem. Sci., 1979,28 (Engl. Transl.)].

  12. J. L. Jannet and R. N. Rogers,Therm. Anal, Proc. 7th Int. Conf., Part 2, 1426; U.S. Govt. Rep. DE 820 12 149, 1982.

  13. F. I. Dubovitskii and B. L. Korsunskii,Usp. Khim., 1981,50, 1828 [Russ. Chem. Rev., 1981,50 (Engl. Transl.)].

    Google Scholar 

  14. V. N. Shanko and R. S. Stepanov, inFizichekaya khimiya [Physical Chemistry], Krasnoyarsk, 1974,1, 190 (in Russian).

    Google Scholar 

  15. A. Ya. Appin, O. M. Todes, and Yu. B. Khariton,Zh. Fiz. Khim. [J. Phys. Chem.], 1936,8, 866 (in Russian).

    Google Scholar 

  16. B. A. Lur'e and B. S. Svetlov, inTr. Mosk. Khim.-Tekhnol. Inst. im. D. I. Mendeleeva [Proc. of D. I. Mendeleev Moscow Inst. of Chem. Technol.], 1967,53, 51 (in Russian).

    Google Scholar 

  17. B. A. Lur'e and B. S. Svetlov,Teoriya vzryvchatykh veshchestv [Theory of Explosives], Izd. Min. Oborony, Moscow, 1963, 281 (in Russian).

    Google Scholar 

  18. A. G. Afanas'ev, B. A. Lur'e, and B. S. Svetlov, inTr. Mosk. Khim.-Tekhnol. Inst. im. D. I. Mendeleeva [Proc. of D. I. Mendeleev Moscow Inst. of Chem. Technol.], 1967,53, 63 (in Russian).

    Google Scholar 

  19. B. S. Svetlov,Kinet. Katal., 1961,2, 38 [Kinet. Catal., 1961,2 (Engl. Transl.)].

    Google Scholar 

  20. G. K. Klimenko, inGorenie i vzryv [Combustion and Explosion, Proc. 4th All-Union Symp. Combust. Explos.], Nauka, Moscow, 1977, 587 (in Russian).

    Google Scholar 

  21. K. K. Andreev and B. S. Samsonov, inTr. Mosk. Khim.-Tekhnol. Inst. im. D. I. Mendeleeva [Proc. of D. I. Mendeleev Moscow Inst. of Chem. Technol.], 1967,53, 7 (in Russian).

    Google Scholar 

  22. B. S. Svetlov and B. A. Lur'e,Zh. Fiz. Khim., 1963,37, 1979 [J. Phys. Chem. USSR, 1963,37 (Engl. Transl.)].

    Google Scholar 

  23. L. Philips,Nature, 1974,160, 753.

    Google Scholar 

  24. F. Pollard, R. Wyatt, and H. M. Marshall,Nature, 1950,165, 564.

    Google Scholar 

  25. S. Zeman, M. Dimun, and S. Truchlik,Thermochim. Acta, 1984,78, 181.

    Google Scholar 

  26. G. M. Khrapkovskii, P. N. Stolyarov, V. D. Dorozhkin, E. A. Ermakova, A. M. Rosin, and G. N. Marchenko,Khim. Fiz., 1990,9, 648 [Chem. Phys. (USSR), 1990,9 (Engl. Transl.)].

    Google Scholar 

  27. S. Zeman,Nitroparaffins. Thermolysis, unpublished paper.

  28. F. I. Dubovitskii, inProblemy kinetiki elementarnykh khimicheskikh reaktsii [Problems of the Kinetics of Elementary Chemical Reactions], Nauka, Moscow, 1973, 173 (in Russian).

    Google Scholar 

  29. G. M. Nazin, G. B. Manelis, and F. I. Dubovitskii,Izv. Akad. Nauk SSSR, Ser. Khim., 1968, 2628 [Bull. Acad. Sci. USSR, Div. Chem. Sci., 1968,17 (Engl. Transl.)].

    Google Scholar 

  30. G. K. Klimenko, inGorenie i vzryv [Combustion and Explosion, Proc. 4th All-Union Symp. Combust. Explos.], Nauka, Moscow, 1977, 567 (in Russian).

    Google Scholar 

  31. G. B. Manelis inProblemy kinetiki elementarnykh khimicheskikh reaktsii [Problems of the Kinetics of Elementary Chemical Reactions], Nauka, Moscow, 1973, 93 (in Russian).

    Google Scholar 

  32. Yu. Ya. Maksimov,Zh. Fiz. Khim, 1971,45, 793 [J. Phys. Chem. USSR, 1971,45 (Engl. Transl.)].

    Google Scholar 

  33. Yu. Ya. Maksimov, N. V. Polyakova, and I. F. Sapranovich, inTr. Mosk. Khim.-Tekhnol. Inst. im. D. I. Mendeleeva [Proc. of D. I. Mendeleev Moscow Inst. of Chem. Technol.], 1974,83, 55 (in Russian).

    Google Scholar 

  34. Yu. Ya. Maksimov and S. V. Sorokin, inTr. Mosk. Khim.-Tekhnol. Inst. im. D. I. Mendeleeva [Proc. of D. I. Mendeleev Moscow Inst. of Chem. Technol.], 1980,112, 36 (in Russian).

    Google Scholar 

  35. S. Zeman,Thermochim. Acta, 1981,49, 219.

    Google Scholar 

  36. R. N. Rogers,Thermochim. Acta, 1975,11, 131.

    Google Scholar 

  37. K. K. Andreev,Termicheskoe razlozhenie i gorenie vzryvchatykh veshchestv [Thermal Decomposition and Combustion of Explosives], Nauka, Moscow, 1966 (in Russian).

    Google Scholar 

  38. Yu. Ya. Maksimov, L. S. Glyushetskaya, and S. B. Sorokin, in.Tr. Mosk. Khim.-Tekhnol. Inst. im. D. I. Mendeleeva [Proc. of D. I. Mendeleev Moscow Inst. of Chent. Technol.], 1979,104, 22 (in Russian).

    Google Scholar 

  39. Yu. Ya. Maksimov, I. F. Sapranovich, and V. G. Pavlenko,Khimiya i Khim. Tekhnologiya [Chemistry and Chem. Technol.], 1974,17, 1585 (in Russian).

    Google Scholar 

  40. Yu. Ya. Maksimov and E. N. Kogut,Khimiya i Khim. Tekhnologiya [Chemistry and Chem. Technol.], 1977,20, 349 (in Russian).

    Google Scholar 

  41. Yu. Ya. Maksimov and E. N. Kogut, inTr. Mosk. Khim.-Tekhnol. Inst. im. D. I. Mendeleeva [Proc. of D. I. Mendeleev Moscow Inst. of Chem. Technol.], 1979,104, 30 (in Russian).

    Google Scholar 

  42. Yu. Ya. Maksimov,Zh. Fiz. Khim., 1967,41, 1193 [J. Phys. Chem. USSR, 1967,41 (Engl. Transl.)].

    Google Scholar 

  43. Yu. Ya. Maksimov, E. N. Kogut, and E. G. Sorokina, inTr. Mosk. Khim.-Tekhnol. Inst. im. D. I. Mendeleeva [Proc. of D. I. Mendeleev Moscow Inst. of Chem. Technol.], 1979,94, 19 (in Russian).

    Google Scholar 

Download references

Author information

Authors and Affiliations

  1. N. D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, 47 Leninsky prosp., 117913, Moscow, Russian Federation

    D. V. Sukhachev & T. S. Pivina

  2. Department of Chemistry, M. V. Lomonosov Moscow State University, Vorob'evy Gory, 119899, Moscow, Russian Federation

    N. I. Zhokhova & N. S. Zefirov

  3. University of Pardubice, CZ-532 10, Pardubice, Czech Republic

    S. Zeman

Authors
  1. D. V. Sukhachev
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. T. S. Pivina
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. N. I. Zhokhova
    View author publications

    You can also search for this author in PubMed Google Scholar

  4. N. S. Zefirov
    View author publications

    You can also search for this author in PubMed Google Scholar

  5. S. Zeman
    View author publications

    You can also search for this author in PubMed Google Scholar

Additional information

For Communication 1, see Ref. 1.

Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 9, pp. 1657–1660, September, 1995.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Sukhachev, D.V., Pivina, T.S., Zhokhova, N.I. et al. QSPR approach to the calculation of rate constants of homolysis of nitro compounds in different states of aggregation. Russ Chem Bull 44, 1589–1593 (1995). https://doi.org/10.1007/BF01151275

Download citation

  • Issue Date:

  • DOI: https://doi.org/10.1007/BF01151275

Key words

Search

Navigation