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A CNDO/2 calculation on stilbene

✍ Scribed by Stig Ljunggren; Gunnar Wettermark


Publisher
Springer
Year
1970
Tongue
English
Weight
493 KB
Volume
19
Category
Article
ISSN
1432-2234

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The base strengths of aromatic nitrogen heterocycles can be related to the energy of protonation of the bases if the entropies of protonation are assumed to be constant or proportional to the energies of protonation. Thus, pKa Cc -AE where Ka is the acid constant of the conjugate acid of the base