On the Origin of cis-Effect in 1, 2-Difluoroethene
The origin of <I>cis</I>-effect in 1,2-difluoroethene has been identified by quantitative analysis of electron delocalization using natural bond orbital analysis at the HF/6-311++G(3df, 3pd) level. It was concluded that both the delocalization of halogen lone-pair electrons (LP effect) and the antiperiplanar effects (AP effect) between vicinal antiperiplanar bonds are most likely to be the major sources of <I>cis</I>-effect with the latter effect being the more predominant.
- Chemistry letters
Chemistry letters 1997(10), 1069-1070, 1997-10
The Chemical Society of Japan