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Indirect 13C13C couplings in benzene and the contribution of their anisotropies to the direct couplings in the oriented molecule

✍ Scribed by P. Diehl; H. Bösiger; J. Jokisaari

Publisher: John Wiley and Sons
Year: 1979
Tongue: English
Weight: 185 KB
Volume: 12
Category: Article
ISSN: 0749-1581
DOI: 10.1002/mrc.1270120506

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✦ Synopsis

Abstract

The indirect ortho and para carbon‐carbon coupling constants in benzene were determined utilizing the deuterium isotope effect on the carbon chemical shifts in 1‐d~1~‐ and 1,3,5‐d~3~‐benzene. The measurements gave for J(CC, ortho) and J(CC, para) the values of 55.3 ± 0.5 Hz and 10.08 ± 0.10 Hz, respectively. The ratios of the direct dipolar CC coupling constants were calculated using the previous results of 1‐^13^C‐benzene in an oriented phase. These ratios differ from the theoretical ones obtained assuming the benzene ring to be hexagonal, showing significant indirect contributions in the D values.

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