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Calculations of enthalpies of formation of carbenes in the ground state in the gas phase

  • Physical Chemistry
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Russian Chemical Bulletin Aims and scope

Abstract

Known enthalpies of formation (Δf H o) of carbenes in the ground state in the gas phase were analyzed; the prospects for the theoretical evaluation of (Δf H o) were considered. The (Δf H o) values of carbenes were calculated by the group-addition method, developed previously for free radicals, as well as by the AM1 and PM3 quantum-chemical methods; these methods were compared.

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Authors and Affiliations

  1. Institute of Chemistry of Nonaqueous Solutions, Russian Academy of Sciences, 1 ul. Akademicheskaya, 153018, Ivanovo, Russian Federation

    Yu. D. Orlov & Yu. A. Lebedev

  2. N. D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, 47 Leninsky prosp., 117913, Moscow, Russian Federation

    L. G. Menchikov & O. M. Nefedov

Authors
  1. Yu. D. Orlov
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  2. Yu. A. Lebedev
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  3. L. G. Menchikov
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  4. O. M. Nefedov
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Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 1, pp. 57–63, January, 1997.

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Orlov, Y.D., Lebedev, Y.A., Menchikov, L.G. et al. Calculations of enthalpies of formation of carbenes in the ground state in the gas phase. Russ Chem Bull 46, 52–58 (1997). https://doi.org/10.1007/BF02495346

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  • DOI: https://doi.org/10.1007/BF02495346

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