## 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.
Barriers to internal rotation in some dimethylamino substituted azoles
✍ Scribed by Tommy Liljefors
- Publisher
- John Wiley and Sons
- Year
- 1974
- Tongue
- English
- Weight
- 775 KB
- Volume
- 6
- Category
- Article
- ISSN
- 0749-1581
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✦ Synopsis
Abstract
Activation parameters for the hindered rotation in some dimethylamino substituted azoles are reported and the effects of various ring systems and substituents on the barrier are discussed. Possible errors in Δ__H__≠ and Δ__S__≠ are investigated.
📜 SIMILAR VOLUMES
## Abstract The free energy of activation for rotation about the exocyclic CN bond of the dimethylamino group of some 6‐substituted 2‐amino‐4‐(__N__,__N__‐dimethylamino)pyrmidines has been determined using ^1^H NMR line shape analysis. The results are discussed in terms of the relative electron‐wi
Molecular orbital theory shows that the conformation of, and barriers to rotation in, radical ions of biphenyl derivatives are greatly different from those of the neutral compounds. The results are consistent with the ESR results on the cation radicals of some substituted biphenyis.
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