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The use of 13C satellites in proton spectra for a study of the rα structure and of the internal rotation of p-chlorotoluene partially oriented in nematic phases

✍ Scribed by P. Diehl; F. Moia

Publisher
John Wiley and Sons
Year
1981
Tongue
English
Weight
280 KB
Volume
15
Category
Article
ISSN
0749-1581

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✦ Synopsis

Abstract

The proton magnetic resonance spectra with natural abundance ^13^C satellites of p‐chlorotoluene in isotropic as well as in oriented solvents are analyzed. The indirect CH and HH couplings are determined from the isotropic sample and one bond ^13^C isotope effects on the proton chemical shifts are measured. The direct couplings derived from the oriented samples are corrected for harmonic vibration and used to determine the molecular r~α~ structure with a 6‐fold hindering potential for the methl group. The resulting CH and CC bond lengths have errors which are smaller than 0.002Å. They deviate from the unsubstituted benzene molecule by between −1.1 and −0.5% for the CH and between +0.3 and +0.5% for the CC distances. It is not possible to obtain conclusive information about the hindering potential.

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