ISSN:
0030-4921
Keywords:
Chemistry
;
Analytical Chemistry and Spectroscopy
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
The proton magnetic resonance spectra with natural abundance 13C 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 13C 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 rα 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.
Additional Material:
1 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/mrc.1270150326
