Hydrogen bonding incis-2,3-epoxycyclooctanol
✍ Scribed by H. L. Carrell; Dale L. Whalen; Jenny P. Glusker
- Publisher
- Springer
- Year
- 1997
- Tongue
- English
- Weight
- 399 KB
- Volume
- 8
- Category
- Article
- ISSN
- 1040-0400
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
The title compound, C 11 H 8 N 2 , contains two essentially planar molecules (A and B) in the asymmetric unit. Molecules of type B exhibit %±% stacking and form in®nite zigzag chains along the a axis. A and B molecules are linked by N amine ÐHÁ Á ÁN imine hydrogen bonds and form polymeric ±A±B±A±B±
Hydrogen bonding is qualitatively accounted for in the early versions of the MM2 program, but not quantitatively. Experimentally, the hydrogen bonds are somewhat shorter and stronger than calculated by MM2. This has been corrected now in MM2(87), by reducing the van der Waals radius of the hydrogen
Ab initio LCAO MO SCF calculations are reported on the linear form of LiH dimer. The prcperties and structure of the Li-H-Li linkage xe discussed in the light of hydrogen bonding.
The O-H and N-H stretching frequencies of a numbor of N-bcnzylanilines and N-2-hy&oxybenzylanilines have been measured in dilute carbon tetrachloride solution and attempts made to relate the observed spectra to the known effects of substituents. The results indicate that rotational isomerism probab