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Journal of the Korean Chemical Society (JKCS)

ISSN 1017-2548(Print)
ISSN 2234-8530(Online)
Volume 22, Number 5
JKCSEZ 22(5)
October 20, 1978 

 
Title
Application of Two Centre Huckel Method for Basicity of the Polydentate Amine Ligands

여러가지 아민리간드의 염기도에 대한 이중심 Huckel 법의 응용
Author
Ja Hong Kim, Kae Soo Lee

김자홍, 이계수
Keywords
Abstract
여러자리 아민리간드에 대해서 이중심 Huckel법의 계산으로 양성자 첨가과정에서 전자에너지 변화와 전자밀도를 논의 하였다. 계산된 ΔEσ 및 qN, qH 값과 실측치 pKb값으로서 여러자리 아민리간드는 trien > en > gly > dien순으로 안정도가 증가함을 보여주었다.

The change of the electron densities of polydentate amine ligands in the reaction of protonation are discussed on the basis of the calculation by Two Center Huckel method. From results, such as ΔEσ, qN, qH, and observed pKb, it is concluded that the stabilities of polydentate amine ligands are in the order of trien > en > gly > dien.

Page
317 - 319
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