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The13C NMR spectra of some polychlorinated dibenzo-p-dioxins. A calculation of13C chemical shifts

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Abstract

The13C NMR spectra of a number of polychiorinated dibenzo-p-dioxins (PCDD) were measured. These and previously known spectra were used for the development of a method for calculation of13C NMR spectra of chloroaromatics in the framework of a two-particle increment scheme for carbon chemical shifts. The scheme one allows to calculate13C chemical shifts for all 75 PCDD.

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Authors and Affiliations

  1. V. I. Vernadsky Institute of Geochemistry and Analytical Chemistry, Russian Academy of Sciences, 19 ul. Kosygina, 117975, Moscow, Russian Federation

    L. A. Fedorov

  2. A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, 28 ul. Vavilova, 117813, Moscow, Russia

    V. I. Dostovalova

  3. Society for the Development and Introduction of Up-to-date Methods of Environment Control ECROS, 13 Bol'shoi prosp., 199032, St. Petersburg, Russian Federation

    O. A. Arapov & M. Yu. Malov

Authors
  1. L. A. Fedorov
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  2. V. I. Dostovalova
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  3. O. A. Arapov
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  4. M. Yu. Malov
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Additional information

Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 4, pp. 760–761, April, 1994.

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Fedorov, L.A., Dostovalova, V.I., Arapov, O.A. et al. The13C NMR spectra of some polychlorinated dibenzo-p-dioxins. A calculation of13C chemical shifts. Russ Chem Bull 43, 713–714 (1994). https://doi.org/10.1007/BF00699856

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  • DOI: https://doi.org/10.1007/BF00699856

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