Skip to main content
SpringerLink
Log in

Effect of substituent in the benzene ring on the reactivity of aromatic nitro compounds: A quantum-chemical approach

  • Published:
Russian Journal of General Chemistry Aims and scope Submit manuscript

Abstract

The effective total charges on the nitro groups of m- and p-substituted nitrobenzenes were calculated ab initio by the RHF/3-21G method. The calculated charges were correlated with the Hammett constants of substituents in the aromatic ring. The correlation equations obtained can be used for predicting and evaluating the reactivity of aromatic nitro compounds.

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. Cherkasov, A.R., Galkin, V.I., and Cherkasov, R.A., Usp. Khim., 1996, vol. 65, no. 8, p. 695.

    CAS  Google Scholar 

  2. Cherkasov, A.R., Galkin, V.I., Zueva, E.M., and Cherkasov, R.A., Usp. Khim., 1998, vol. 67, no. 5, p. 423.

    CAS  Google Scholar 

  3. Kochetova, L.B. and Klyuev, M.V., Izv. Vyssh. Uchebn. Zaved., Ser. Khim. Khim. Tekhnol., 2006, vol. 49, no. 6, p. 25.

    CAS  Google Scholar 

  4. Kochetova, L.B., Volkova, T.G., and Klyuev, M.V., Neftekhimiya, 2000, vol. 40, no. 5, p. 371.

    CAS  Google Scholar 

  5. Nasibulin, A.A., Kochetova, L.B., and Klyuev, M.V., Neftekhimiya, 2001, vol. 41, no. 3, p. 213.

    CAS  Google Scholar 

  6. Dneprovskii, A.S. and Temnikova, T.I., Teoreticheskie osnovy organicheskoi khimii (Theoretical Fundamentals of Organic Chemistry), Leningrad: Khimiya, 1991.

    Google Scholar 

  7. Kochetova, L.B. and Klyuev, M.V., in Materialy dokladov III shkoly-seminara “Kvantovokhimicheskie raschety: struktura i reaktsionnaya sposobnost’ organicheskikh i neorganicheskikh molekul” (Proc. III School-Workshop “Quantum-Chemical Calculations: Structure and Reactivity of Organic and Inorganic Molecules”), Ivanovo, 2007, p. 105.

  8. Spravochnik khimika (Chemist’s Handbook), Moscow: Khimiya, 1964, vol. 3.

Download references

Author information

Authors and Affiliations

  1. Ivanovo State University, ul. Ermaka 39, Ivanovo, 153025, Russia

    L. B. Kochetova & M. V. Klyuev

Authors
  1. L. B. Kochetova
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. M. V. Klyuev
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to L. B. Kochetova.

Additional information

Original Russian Text © L.B. Kochetova, M.V. Klyuev, 2008, published in Zhurnal Obshchei Khimii, 2008, Vol. 78, No. 2, pp. 286–287.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Kochetova, L.B., Klyuev, M.V. Effect of substituent in the benzene ring on the reactivity of aromatic nitro compounds: A quantum-chemical approach. Russ J Gen Chem 78, 264–265 (2008). https://doi.org/10.1134/S107036320802014X

Download citation

  • Received:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1134/S107036320802014X

Keywords

Search

Navigation