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** Dissociation energies calculating **

** Dissociation energies calculations **

Note that theoretical calculations of the surface of a potential energy of electronically excited states of the HOO radical showed that the states with the excitation energies near 5eV correspond to dissociative terms from which this radical dissociates with the 0-0 bond breaking [69]. [Pg.281]

The calculated bond dissociation energies are in good agreement with experiment except for difluorine. The theoretical result Dq = 46.0 kcaPmol is higher than the experimental value of Do = 36.9 kcaPmol. The trend however, that the BDE of F2 is smaller than the bond dissociation energies of CI2 and Br2 is preserved. Table 13.3 shows that the values of both and increase steadily from I2 to F2. We want to point out that [Pg.303]

Table 12.4. Substituent Effects on Radical Stability from Measurements of Bond Dissociation Energies and Theoretical Calculations of Radical Stabilization Energies |

** Dissociation energies calculating **

** Dissociation energies calculations **

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