Quantum chemical calculations show that the O-C-C-G dihedral angle of 3,3-dimethyl-tricyclo-[6,4,0,0z\*7 ].-dodeca-6-ene-di-1,2-o1 does not depend on steric interactions, This angle is ,the same for molecules in the solid state (X-ray diffraction), in solution (infrared spectroscopy) and isolated (t
Intramolecular reorientations and the effects of thermal history and hydrogen bonding in four closely related organic molecular solids
✍ Scribed by Meigan Aronson; Peter Beckmann; Becky Ross; Swee Lian Tan
- Publisher
- Elsevier Science
- Year
- 1981
- Tongue
- English
- Weight
- 596 KB
- Volume
- 63
- Category
- Article
- ISSN
- 0301-0104
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Ab initio 3CF and SCP Cl caJcuJatjons ~4th Zhe STO-3C basis set have been pcrformcd in this study of the effect of jntramolccubr hydrogen bonding on n orbital cncrgjcs and n -r I?\* transition encrgiw in ,&hydroxyacrofcin. In the hydrogen bonded C, form, the n orbital is stabWed and the n -+ s\* tnn
## Abstract The crystal structures of 3‐methylpiperid‐1‐ylmethane‐1,1‐diphosphonic (**2**), 4‐methylpiperid‐1‐ylmethane‐1,1‐diphosphonic (**3**), 2‐ethylpiperid‐1‐ylmethane‐1,1‐diphosphonic (**4**), and 2‐methylpiperid‐1‐ylmethane‐1,1‐diphosphonic (**5**) acids have been determined and are discusse