Amines Charges of the Carbon Atoms

For sp carbon atoms, the relationship (6.8) with nuclear magnetic resonance shifts is highly accurate [38] 

Alkane carbon atoms satisfy the charge-NMR shift correlation [Eq. (6.8)]. With the alkylamines, things could be different because of a possible extra effect due to the presence of the nitrogen atom a-carbons should perhaps be compared only among themselves, and so should the /3- and y-carbons. The S-carbons, in contrast, which are sufficiently separated from the nitrogen center, could probably be treated as if they were part of an alkane. This point has been examined as follows for the —C 2—H2—NH2 motif, focusing on the dissociation and intrinsic bond energies, Dc Cp and sc Cp, respectively. 

The first step regards the reorganizational energy of the NH2 CH2 radical—it is known (Table 12.3). 

This reorganizational energy, the A energies deduced from experimental enthalpies [248], and the energies of the alkyl radicals (Table 12.3) now give the following 

Atomic Charges, Bond Properties, and Molecular Energies, by Sandor Fliszar Copyright 2009 John Wiley Sons, Inc. 

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