Research on Activation Energy. II. Some Applications of the Empirical Rule

Abstract

1. The empirical rule for the calculation of the activation energy previously proposed has been applied for some more complicated reactions. 2. For the addition reaction of halogen to ethylene the calculated values agree very well with the observed values, but for that of hydrogen the calculated value was somewhat greater than the observed. 3. For the atomic reactions involving sodium and halogen atoms the calculated values agree well with the observed under the appropriate assumptions. 4. The activation energies for the adsorption of hydrogen and ethylene on nickel have been calculated, and the initial rate of adsorption of ethylene calculated by the use of the obtained value of the activation energy was compared with the experimental value of Steacie and Stovel.

Gas-Phase Reactivity of Cesium-Containing Species by Quantum Chemistry

“…7,9 Buroń and Fernańdez estimated the activation energy of reaction R2 by using the semiempirical rule developed by Otozai. 72 As shown in Table 6, our calculated values are larger than those found in the literature, showing that this reaction proceeds very fast. Reactions R3 and R4 are barrierless, so we can consider they are fast and limited by the diffusion.…”

“…In the literature, to our knowledge, there are no experimental data available concerning rate constants for reactions and . For reaction the rate constants calculated in this work can be compared with some rough estimation performed earlier. , Burón and Fernández estimated the activation energy of reaction by using the semiempirical rule developed by Otozai . As shown in Table , our calculated values are larger than those found in the literature, showing that this reaction proceeds very fast.…”