Selected Reorganizational Energies

The easiest route to RE is by means of Eq. (12.5), provided, of course, that we have access to both A (K°) and A (K )- Unfortunately, this is not often the case. Example 12.1 presents such a simple situation. More involved situations will be considered at a later stage. 

TABLE 12.3. Radical Atomization and Reorganizational Energies (kcal/mol) 

Items 1—9 are fix)m Refs. 44, 234, and 235. Items 9-14 are explained in the text. (Chapter 15 explains the theoretical results obtained for 12 and 13.) 

The hydrocarbons are good candidates for highlighting the merits of our master equation (12.8), its salient features and some intricacies plaguing the interpretation of trends observed for the breaking of chemical bonds. The use of Eq. (12.8) requires the appropriate RE energies (Table 12.3) as well as the charge neutralization energies, CNE [Eq. (12.7)]. 

Now we come to the interesting part the skeleton of carbon-carbon bonds, which represents a typical example of interior bonds.  

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The electroneutral (R°) s selected once and for all as convenient references differ, of course, from the genuine radicals R this difference is represented by the reorganizational energy... 

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