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The effect of halogen atoms in barriers to rotation in substituted ethanes

✍ Scribed by J.E. Anderson; H. Pearson

Publisher
Elsevier Science
Year
1972
Tongue
French
Weight
88 KB
Volume
13
Category
Article
ISSN
0040-4039

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✦ Synopsis

There have been reports recently on the effect of alkyl groups on barriers to rotation in highly substituted ethanes 2a-d ; we here report the effect of halogen atoms. The Table shows rate constants and

πŸ“œ SIMILAR VOLUMES

Distortional effects on the ethane inter
Distortional effects on the ethane internal rotation barrier and rotation barriers in borazane and methylsilane
✍ A. Veillard πŸ“‚ Article πŸ“… 1969 πŸ› Elsevier Science 🌐 English βš– 326 KB

Receised 7 February -969 Distortional effects on the barrier to L?p?nal rotation of ethane x-e investigated through ab tnttto calculations. yielding a theoretical barrier of 3.071 kcal/mole (experimental 2.928 kcal/mole). The com-Lwted barrier is 3.064 kcal/moIe ior borazane and 1.44 kcal/mole for m

Calculations of the barrier to internal
Calculations of the barrier to internal rotation in ethyl flouride: A comparison with ethane
✍ William E. Palke πŸ“‚ Article πŸ“… 1972 πŸ› Elsevier Science 🌐 English βš– 406 KB

Sasis sets. Minimum basis set calculations predict the barrier in ethyl fluoride to be 0.5 kcd/mole smaller than the ethzne barrier. Extended basjs set cdcufations give barriers of 3.4 and 3.3 kcal/mole for ethyl fluoride and ethane. These results are in better ;igrecment with the espcrimcntal value