Relationship of the 17O chemical shift to the stretching frequency of the hydroxy-group in saturated alcohols
- 1 January 1981
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Perkin Transactions 2
- No. 12,p. 1558-1561
- https://doi.org/10.1039/p29810001558
Abstract
A good linear relationship was found to exist between the 17O chemical shift and the OH stretching frequency of the hydroxy-group in some saturated alcohols. Similar relationships were also found between the 17O chemical shifts for methyl ethers and anisoles and the OH stretching frequencies for the corresponding saturated alcohols and phenols. CNDO/2 Calculations were carried out to obtain the OH stretching frequency of the hydroxy-group and the local paramagnetic term of the oxygen atom for a series of methyl-substituted methanols. The results are compared with the experimental data.Keywords
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