Unambiguous signal assignments of 1H and 13C NMR spectra for chlorinated benzenes using 37Cl/35Cl isotope effects
✍ Scribed by Koshi Matsubara
- Publisher
- John Wiley and Sons
- Year
- 2001
- Tongue
- English
- Weight
- 260 KB
- Volume
- 39
- Category
- Article
- ISSN
- 0749-1581
- DOI
- 10.1002/mrc.860
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✦ Synopsis
Abstract
One‐bond ^37^Cl/^35^Cl isotope effects on ^13^C NMR chemical shifts were used to assign the ^1^H and ^13^C NMR spectra of bis(4‐chlorophenyl)sulfone, 4,5‐dichlorophthalic acid and 2,2^′^‐thiobis(4,6‐dichlorophenol). The chlorine‐bonded carbons showed characteristic peaks separated by about 4 ppb with a 3 : 1 area ratio, corresponding to the natural abundance of ^35^Cl and ^37^Cl. The determination of the chlorine‐bonded carbon signals based on the isotope effects was useful when the empirical additivity rules of the chemical shifts and several 2D NMR techniques were insufficient for a complete definitive assignment. Copyright © 2001 John Wiley & Sons, Ltd.