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Journal of the Korean Chemical Society (JKCS)

ISSN 1017-2548(Print)
ISSN 2234-8530(Online)
Volume 15, Number 3
JKCSEZ 15(3)
June 20, 1971 

Application of Two Centre H ckel Method for Basicity of the Aliphatic Amines

이중심 Huckel 법의 응용 지방족 아민의 염기도 [Ⅰ]
Byung Kak Park, Mu Sang Lee, Young Suek Hong

박병각, 이무상, 홍영석
On the baisis of the calculations by the two centre Huckel method for sigma electron system, the electronic structure of the various aliphatic amines including ammonia, and the relationship between the observed pKb and the change in the sigma electronic energy, ΔEσin the course of protonation are discussed. A parallelism is observed between the pKb and the calculated ΔEσ of the amines. Also, it is observed that the electron densities of hydrogen atom directly bonded to nitrogen of the amines, likewise have a linear relationship with the pKb. Therefore, the basicity of the aliphatic amines may be estimated qualitatively by means of the two center Huckel method.
147 - 152
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