| Autor: |
Wasylishen, R., Rowbotham, J. B., Ernst, L., Schaefer, T. |
| Zdroj: |
Canadian Journal of Chemistry; August 1972, Vol. 50 Issue: 16 p2575-2585, 11p |
| Abstrakt: |
A complete analysis (8-spins) is given of the p.m.r. spectrum of aniline-15N, of the spectra of some haloanilines-15N and of 2-aminoacetophenone-15N. Intermolecular exchange of the amino protons is slow enough for observation of their spin–spin coupling to the ring protons. The magnitudes of the coupling constants between amino protons and 15N or ring protons are a measure of the geometry of the amino group. This is not true of the couplings between 15N and the ring protons. Long-range couplings computed in the CNDO/2 and INDO approximations of molecular orbital theory show points of agreement with experiment. For example, their signs and magnitudes are consistent with a nonplanar but not with a planar conformation of aniline. Couplings from 15N to ring protons are also computed for nitrobenzene. |
| Databáze: |
Supplemental Index |
| Externí odkaz: |
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