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Relative base strengths from CNDO-2 calculations

✍ Scribed by John D. Vaughan; Michael O. Donnell

Publisher: Elsevier Science
Year: 1968
Tongue: French
Weight: 188 KB
Volume: 9
Category: Article
ISSN: 0040-4039
DOI: 10.1016/s0040-4039(00)75527-4

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✦ Synopsis

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 and AE is the energy of protonation.

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