Abstract
The properties of the intersection surface of the potential energy surfaces of structural isomers and kinetic characteristics of the reaction, including the physical meaning of the Arrhenius law parameters, are analyzed in detail. A number of corollaries important for determining the probability of the interisomer transition and the influence of the temperature factor on the probability and the pattern of this structural transformation were formulated. The theoretical model used describes the experimental regularities (Arrhenius law) and allows one to calculate the relevant parameters. The reason for manifestation of this regularity is the superposition of two factors, namely, the exponential dependence of the transition probability on the reciprocal temperature and the linear temperature dependence of the level of energy for which this probability is the highest.
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Baranov, V.I., Gribov, L.A. On the temperature dependence of the probability of structural interisomer transitions of molecules. Russian Chemical Bulletin 52, 802–810 (2003). https://doi.org/10.1023/A:1024471519624
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DOI: https://doi.org/10.1023/A:1024471519624