Free Energy Barrier to Rotation of the Amino Group in 2-Aminoacetophenone
- 1 November 1971
- journal article
- Published by Canadian Science Publishing in Canadian Journal of Chemistry
- Vol. 49 (21) , 3575-3576
- https://doi.org/10.1139/v71-595
Abstract
The free energy of activation for hindered rotation of the amino group about the N-aryl bond in 2-aminoacetophenone is found to be 10.6 ± 0.5 kcal/mol in toluene solution at 233 ± 10 °K. Separate amino p.m.r. peaks are observed at low temperatures and these are strongly broadened by incompletely relaxed spin–spin coupling to the quadrupolar 14N nucleus, making a more accurate determination of activation parameters impractical. Some INDO molecular orbital calculations are performed in an attempt to rationalize the barrier magnitude.Keywords
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