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Journal of the Korean Chemical Society (JKCS)

ISSN 1017-2548(Print)
ISSN 2234-8530(Online)
Volume 25, Number 2
JKCSEZ 25(2)
April 20, 1981 
 
Title
 MO Theoretical Study on the Stability and the Structure of the Carbon Dianion

Carbon Dianion의 안정성과 전자구조에 대한 분자궤도함수론적 연구
Author
 Bon-Su Lee, Ikchoon Lee, Chang Kuk Sohn

이본수, 이익춘, 손창국
Keywords
Abstract
 Biindenyl dianion의 존재를 논의하기 위하여 모델 화합물로서 2, 3-dimethyl butadiene 을 취하여 이의 mono 및 dianion에 대하여 CNDO/2 계산을 수행하였다. 또한 부분적으로 기하학적 구조를 최적화함으로써 이들의 전자구조의 변화를 조사하여 보았다. 이 결과 dianion에 미치는 안정화 효과는 mono-anion에 미치는 안정화 효과와 현저하게 다르다는 사실을 알았다.

In order to discuss the existence of the biindenyl dianion, we chose the 2, 3-dimethyl butadiene as a model compound and attempted the CNDO/2 calculations for its monoanino and dianion. We investigated the changes in the electronic structures by means of the partial geometry optimization. We found the stability effects on dianion were markedly different from those on monodianion.
Page
 85 - 91
Full Text
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