Quantum mechanical calculations on barriers to internal rotation
โ Scribed by Alain Veillard
- Publisher
- Springer
- Year
- 1966
- Tongue
- English
- Weight
- 513 KB
- Volume
- 5
- Category
- Article
- ISSN
- 1432-2234
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
## Receivzj i August 1967 Ab initio calculations of barriers to internal rotation in propane are carried out by a bond orbital approach. The results are in fair agreement with experiment and indicate that the rotation of the two methyl groups is not independent.
The barrier to the internal rotation of the dirnethylamino group in thioamides of structure R-CS-N(CH,),, R being (CH,),N-CS--, CH,O,C-or N=C--, is studied by proton magnetic resonance, using the lineshape analysis method of Nakagawa. In the solvents o-dichlorobenzene, naphthalene and nitrobenzene a