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Journal of the Korean Chemical Society (JKCS)

ISSN 1017-2548(Print)
ISSN 2234-8530(Online)
Volume 13, Number 4
JKCSEZ 13(4)
August 20, 1969 

Determination of Nucleophilic Reactivity by PMO Method (Ⅰ) Kinetic Studies on the Chloride Exchange Reactions of Arylmethylchlorides in Dry Acetone

PMO 법에 의한 친핵반응도 결정 (Ⅰ) Arylmethylchloride의 Chloride 교환반응
Bon-su, Lee, Ikchoon, Lee

이본수, 이익춘
Arymethychloride의 교환반응에 대한 반응속도 상수를 측정하고 또한 활성화 파라메터를 결정하였다.Substrate의 반응도를 섭동분자궤도(PMO)법으로 설명하였으며 HSAB원리를 이에 적용하였다. 또한 전이상태에서의 탄소-염소공명적분값이 탄소-탄소 공명자분값이 약 67%임을 밝혔다.

Rate constans for the chloride exchange of some arylmethylchloride in dry acetone have been determined, and activation parameters have been evaluated. The reactivities of substates are explained with perturbational molecular orbital (PMO) method and HSAB principle. It was found that carbon-chlorine resonance integral at the transition state is a out 67% of β, the carbon-carbon resonance integral.

281 - 287
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