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

Conjugated Oxime 의 立體構造에 關한 硏究 (第3報). EHT 에 依한 cis-2-Butenedialdioxime 의 形態決定

  • 홍영석 (계명대학교 자연과학대학 화학과) ;
  • 박병각 (경북대학교 공과대학 공업교육과)
  • Published : 1976.12.30

Abstract

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 $sp^2$ orbitals of carbon-carbon double bond. The conformation of minimum energy is found to be twisted by$25^{\circ}C.$

새로 合成한 cis-2-butenedialdioxime의 立體構造를 NMR, 攫張分子軌道法(EHT) 및 非等方性效果에 대한 Pople의 model을 사용하여 그 形態를 決定하였다. 이 物質의 두개의 炭素-炭素 單一結合이 炭素-炭素 二重結合의 여섯 $sp^2$ 混成軌道가 이루는 平面에서 같은 方向으로 25˚回轉된 形態임을 알았다.

Keywords

References

  1. J. Korean Chem. Soc. v.19 Y.S. Hong;H.K. Lee;B.K.Park
  2. J. Chem. Phys. v.39 R. Hoffmann
  3. Application of Nuclear magnetic Resonance Spectroscop yin Organic chemistry(2nd Ed.) L.M. Jackmann;S. Sternhell
  4. J. Chem. Phys. v.37 J. A. pople
  5. J. Chem. Phys. v.38 E. Clementi;D.L. Raimondi
  6. J. Amer. Chem. Soc. v.84 J. Jinze;H.H. Jaffe
  7. J. Chem. Phys. v.20 M. Wolfsberg;L. Helmholtz
  8. The Chemistry of the Carbon-Nitrogen Double Bond S. Patai
  9. Nuclear Magnetic Resonance Spectroscopy F.B. Bovey
  10. High Resolution NMR J.A. Pople(et al.)