Method of calculating reaction rate constants from the structure of the reacting molecules

  • S. S. Yufit
Physical Chemistry


  1. 1.

    It is shown that it is possible to use an additive scheme of calculation to express the relation between the structure of a molecule and its reactivity, considering only the geometry of the molecule, the types of bonds and their position with respect to the reaction center.

  2. 2.

    An empirical formula is given for calculating reaction rate constants from the structural formulas of the reacting molecules.



Reaction Center Empirical Formula Structural Formula Additive Scheme Calculate Reaction Rate 
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Literature cited

  1. 1.
    V. M. Tatevskii, The Chemical Structure of Hydrocarbons and the Laws Governing their Physical Chemical Properties [in Russian], Moscow State University Press, Moscow (1953).Google Scholar
  2. 2.
    V. A. Pal'm, Uspekhi khimii,30, 1069 (1961).Google Scholar
  3. 3.
    Collection: “Space Effects in Organic Chemistry” [Russian translation], IL, Moscow (1960).Google Scholar
  4. 4.
    D. Felix, über die relative Geshwindigkeit der saurekatalysierten Cyclisation von Aldehyden des Citronellal-Typus, Zurich (1959).Google Scholar

Copyright information

© Consultants Bureau 1963

Authors and Affiliations

  • S. S. Yufit
    • 1
  1. 1.N. D. Zelinskii Institute of Organic ChemistryAcademy of Sciences USSRUSSR

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