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Journal of the Korean Chemical Society (JKCS)

ISSN 1017-2548(Print)
ISSN 2234-8530(Online)
Volume 20, Number 6
JKCSEZ 20(6)
December 20, 1976 

Structural Studies on Conjugated Oximes (Ⅲ). The Conformational Study of cis-2-Butenediadioxime by EHT

Conjugated Oxime 의 입체구조에 관한 연구 (제3보). EHT 에 의한 cis-2-Butenedialdioxime 의 형태결정
Young-Suek Hong, Byung-Kack Park

홍영석, 박병각
새로 합성한 cis-2-butenedialdioxime의 입체구조를 NMR, 확장분자궤도법(EHT) 및 비등방성효과에 대한 Pople의 model을 사용하여 그 형태를 결정하였다. 이 물질의 두개의 탄소-탄소 단일결합이 탄소-탄소 이중결합의 여섯 sp2 혼성궤도가 이루는 평면에서 같은 방향으로 25˚회전된 형태임을 알았다.

Conformation of cis-2-butenedialdioxime, a newly synthesized compound, was assigned by means of nuclearmagnetic resonance, extended Huckel molecular orbital method, and Pople's model of anisotropic effect. It was confirmed that two carbon-carbon single bonds are conrotatorily twisted from the molecular plane of six sp2 orbitals of carbon-carbon double bond. The conformation of minimum energy is found to be twisted by 25℃.

507 - 513
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