Correlated quantum rotation of methyl groups and the ESR spectrum
β Scribed by N. Ya. Shteinshneider
- Book ID
- 112363422
- Publisher
- Springer
- Year
- 1976
- Tongue
- English
- Weight
- 588 KB
- Volume
- 11
- Category
- Article
- ISSN
- 0040-5760
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π SIMILAR VOLUMES
Selecrive line broadening of the ESR spectrum of u,adifIuoroethyi radial shows hindered internal rotation of tho methyl group, from which 3 barrier of 1.1 kul mole -' is obtained by !ineshape analysis.
The wavefunction of a quantum system driven by a thermal environment localises when environmentally induced motion overtakes oscillations of the undriven system. The slowing down of the oscillations with increasing temperature is an important aspect of the transition from wave-lie to particle-like b
## Abstract Internal rotations of the methyl group in orthoβsubstituted and 2,6βdisubstituted toluenes in their ground state have been investigated by means of various __ab initio__ quantum chemistry methods. Computed barriers at the HartreeβFock (HF) level using medium sized basis sets agreed reas