The CH/蟺 hydrogen bond: Implication in chemistry
- 作者：M. Nishio ; dionisio@tim.hi-ho.ne.jp
- 关键词：CH/蟺 ; Hydrogen bond ; Cambridge Structural Database ; Host/guest complex ; MO calculation
- 刊名：Journal of Molecular Structure
- 出版年：2012
- 期刊代码：62_00222860
- 类别：ch
- 出版时间：27 June, 2012
- 卷：1018
- 期：Complete
- 页码：2-7
- 文件大小：597 K
摘要
The CH/蟺 hydrogen bond is the weakest extreme of hydrogen bonds that occurs between a soft acid CH and a soft base 蟺-system. Implication in chemistry of the CH/蟺 hydrogen bond includes issues of conformation, crystal packing, and specificity in host/guest complexes. The result obtained by analyzing the Cambridge Structural Database is reviewed. The peculiar axial preference of isopropyl group in 伪-phellandrene and folded conformation of levopimaric acid have been explained in terms of the CH/蟺 hydrogen bond, by high-level ab initio MO calculations. Implication of the CH/蟺 hydrogen bond in structural biology is also discussed, briefly.