Structural examination of some polychlorinated 2-phenoxyphenols by 1H and 13C nuclear magnetic resonance |
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Authors: | Bo Nord n,Ulf Edlund,Carl-Axel Nilsson |
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Affiliation: | Bo Nordén,Ulf Edlund,Carl-Axel Nilsson |
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Abstract: | Carbon-13 NMR spectra of some polychlorinated 2-phenoxyphenols have been obtained. The substituent chemical shifts obtained by varying the chlorine substitution pattern of one ring are very similar to those reported for the corresponding diphenyl ethers. Thus, the replacement of a 2-chlorine atom by a hydroxyl group only induces minor shielding changes at the adjacent aryl moiety and the 13C chemical shift changes are mainly determined by the preferred conformations governed by the steric demand of the ortho substituents. An 1H NMR/IR study revealed an equilibrium between intermolecular aggregates and intramolecular OH…π species in the concentration interval 2-0.005 M. Any hydrogen bonding effects on 13C NMR shieldings are, therefore, minor compared to shielding variations caused by steric perturbations. |
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