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The problem of structural analysis of organic molecules according to the NMR spectra in terms of the theory of moments and its solution by the methods of image recognition theory

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Bulletin of the Academy of Sciences of the USSR, Division of chemical science Aims and scope

Conclusions

  1. 1.

    In problems of structural analysis, the representation of NMR spectra in terms of moments has a number of advantages over the traditional methods (chemical shifts and spin-spin interaction constants), in view of the fact that with equal informativeness, the moment can also be calculated in those cases when a calculation of the chemical shifts and spin-spin interaction constants is impossible.

  2. 2.

    A representation of NMR spectra in terms of moments permits the development of a universal approach to problems of structural classification according to NMR spectra (based on the use of a digital electronic computer).

  3. 3.

    The learning program developed permitted an extremely effective solution of the problem of recognition of disubstituted benzene derivatives (ortho, meta, para) according to their NMR spectra.

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Authors and Affiliations

  1. N. D. Zelinskii Institute of Organic Chemistry, Academy of Sciences of the USSR, USSR

    A. V. Kessenikh, L. N. Drozdov-Tikhomirov & L. A. Belorusskii

Authors
  1. A. V. Kessenikh
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  2. L. N. Drozdov-Tikhomirov
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  3. L. A. Belorusskii
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Additional information

Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 1, pp. 95–98, January, 1972.

The authors are grateful to all the co-workers who provided us with samples, especially L. N. Nikolenko, who synthesized about 20 compounds, and P. P. Shorygin, who placed part of his collection of samples at our disposal.

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Kessenikh, A.V., Drozdov-Tikhomirov, L.N. & Belorusskii, L.A. The problem of structural analysis of organic molecules according to the NMR spectra in terms of the theory of moments and its solution by the methods of image recognition theory. Russ Chem Bull 21, 84–87 (1972). https://doi.org/10.1007/BF00855661

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  • DOI: https://doi.org/10.1007/BF00855661

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