17O NMR chemical shifts: a simple and useful rule for substituent additivity on oxygen atoms with a coordination number of two
✍ Scribed by Marcos A. P. Martins; Nilo Zanatta; Helio G. Bonacorso; Geonir M. Siqueira; Alex F. C. Flores
- Publisher
- John Wiley and Sons
- Year
- 1999
- Tongue
- English
- Weight
- 58 KB
- Volume
- 37
- Category
- Article
- ISSN
- 0749-1581
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✦ Synopsis
The 17 O chemical shifts of simple aliphatic ethers were studied, and the additivity substituent increments for carbon atoms in the alkyl groups were determined. The additivity parameters were used to establish a linear correlation with experimental data for a series of aliphatic ethers, alcohols, vinyl ethers, trichloroacetyl vinyl ethers, alkyl phenyl ethers, alkyl formates, alkyl acetates and alkyl trichloroacetates. The use of correlation to estimate the 17 O chemical shifts allows the calculation of data with an accuracy better than š2.5 ppm.