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Study of the structure of 1-nitro-3,3,3-trifluoro- and 1-nitro-3,3,3-tribromopropenes by the methods of dipole moments and quantum chemistry

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Abstract

Method of dipole moments and quantum-chemical calculations allowed establishing that 1-nitro-3,3,3-trifluoro- and 1-nitro-3,3,3-tribromopropenes have the E-configuration (the nitro group and the trihalomethyl substituent are in the trans-position); the obtained characteristics were compared with the corresponding data for the trichloromethyl-containing analog.

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Authors and Affiliations

  1. Kazan (Volga Region) Federal University, ul. Kremlevskaya 18, Kazan, Tatarstan, 420008, Russia

    Ya. A. Vereshchagina, A. Z. Alimova & E. A. Ishmaeva

  2. Joint Supercomputer Center of the Russian Academy of Sciences (Kazan Branch), Kazan, Tatarstan, Russia

    D. V. Chachkov

  3. Herzen Russian State Pedagogical University, St. Petersburg, Russia

    E. K. Slobodchikova & V. M. Berestovitskaya

Authors
  1. Ya. A. Vereshchagina
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  2. A. Z. Alimova
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  3. D. V. Chachkov
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  4. E. A. Ishmaeva
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  5. E. K. Slobodchikova
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  6. V. M. Berestovitskaya
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Corresponding author

Correspondence to Ya. A. Vereshchagina.

Additional information

Original Russian Text © Ya.A. Vereshchagina, A.Z. Alimova, D.V. Chachkov, E.A. Ishmaeva, E.K. Slobodchikova, V.M. Berestovitskaya, 2014, published in Zhurnal Organicheskoi Khimii, 2014, Vol. 50, No. 11, pp. 1578–1580.

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Vereshchagina, Y.A., Alimova, A.Z., Chachkov, D.V. et al. Study of the structure of 1-nitro-3,3,3-trifluoro- and 1-nitro-3,3,3-tribromopropenes by the methods of dipole moments and quantum chemistry. Russ J Org Chem 50, 1562–1564 (2014). https://doi.org/10.1134/S1070428014110049

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  • DOI: https://doi.org/10.1134/S1070428014110049

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