Skip to main content
SpringerLink
Log in

Electronic Structure and PMR Characteristics of Substituted Nitroanilines

  • Published:
Journal of Applied Spectroscopy Aims and scope

Abstract

We have investigated the influence of volumetric (heterocyclic) substituents on the PMR characteristics of substituted nitroanilines depending on their position relative to the nitro group. Using quantum chemical simulation (the PM3 method), data on the position of the proton signals in the PMR spectra of 3-nitro-6-piperidinoaniline and 3-nitro-4-piperidinoaniline are interpreted. It is established that for structures in which the nitro group is removed from the benzene ring plane it does not appear possible to calculate the PMR spectrum using the Beeby–Sternhell increments.

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. Y. Igarashi, M. Shimoyamada, M. Takashima, and T. Suzuki, Method of Producing 2-amino-3-nitro-5-halogenopyrydine. U.S. Patent 5453512 (1995)

  2. W. A. Denny, B. D. Palmer, and W. R. Wilson, Nitroaniline Derivatives and Their Use as Antitumor AgentsU.S. Patent 5571845 (1996).

  3. Nitroaromatic Reduction. Chem. Market Report, No. 24, 5–13 (1993).

  4. A. Lagrange, A. Junino, A. Genet, and I. Cofferet, Nouvelles 2-nitro-p-phenylenediamines hydroxyethylenes et leur utilisation en teinture des fibres keratiniques.France Patent 2692573 (1993).

  5. R. Hamprecht and H. Jorden, Mischungen Blauer Dispersionsazofarbstoffe, Germany Patent Application 4437551 (1996).

  6. H. Gunter, NMR Spectroscopy[Russian translation], Moscow (1984).

  7. J. Beeby, S. Sternhell, T. Hoffmann-Ostenhof, E. Pretsch, and W. Simon, Anal. Chem., 45, No. 8, 1572–1582 (1973).

    Google Scholar 

  8. P. C. Begunov, V. Yu, Orlov, A. D. Kotov, V. V. Kopeikin, V. N. Leibzon, and G. S. Mironov, Izv. Vyssh. Uchebn. Zaved., Ser. Khim. Khim. Tekhnol., 41, Issue 4, 61–64 (1998).

    Google Scholar 

Download references

Author information

Authors and Affiliations

  1. P. G. Demidov Yaroslavl' State University, 14 Sovetskaya Str., Yaroslavl', 150000, Russia

    R. S. Begunov, T. N. Orlova, O. V. Taranova & V. Yu. Orlov

Authors
  1. R. S. Begunov
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. T. N. Orlova
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. O. V. Taranova
    View author publications

    You can also search for this author in PubMed Google Scholar

  4. V. Yu. Orlov
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to R. S. Begunov.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Begunov, R.S., Orlova, T.N., Taranova, O.V. et al. Electronic Structure and PMR Characteristics of Substituted Nitroanilines. Journal of Applied Spectroscopy 69, 807–810 (2002). https://doi.org/10.1023/A:1022441932591

Download citation

  • Issue Date:

  • DOI: https://doi.org/10.1023/A:1022441932591

Search

Navigation