✍ Scribed by E. T. Denisov; L. N. Denisova
No coin nor oath required. For personal study only.
Since the activation energy for the reaction R H + 0 2 -+ R . + HO; is very close to its endothermicity, the R-H bond energy can be calculated from the activation energy for free radical formation by the reaction R H + 0 2 . The relation between Ei and QR-H was found empirically after measuring Ei by the method of inhibitors for the oxidation of cyclohexane, n-heptane, and toluene:
The values of QR-H are calculated from these and earlier experimental data for five hydrocarbons, five phenols, and four aromatic amines.
📜 SIMILAR VOLUMES
Using recently published potential energy surfaces, rovibrational energy levels are computed for the ground electronic states of H O and NO , using three-2 2 Ž . dimensional discrete variable representation DVR algorithms. Calculations are presented for H O to demonstrate the accuracy of these algor