N chemical shifts are reported for 10 mesoionic oxadiazoles and thiadiazoles. Some supporting 14 N and 13 C NMR data are also reported, together with some ab initio molecular orbital calculations and x-ray diffraction data. The relation between compound structure and 15 N chemical shifts is discusse
Structural studies on some mesoionic compounds using nitrogen NMR
✍ Scribed by J. Jazwinski; L. Stefaniak; G. A. Webb
- Publisher
- John Wiley and Sons
- Year
- 1988
- Tongue
- English
- Weight
- 211 KB
- Volume
- 26
- Category
- Article
- ISSN
- 0749-1581
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✦ Synopsis
H, 13C, "N and "N NMR data are reported for two 1,2,3,4-oxatriazolium-!+thiolates and for two 1,2,3,4 thiatriazolium-5-olates. It is demonstrated that nitrogen NMR is the most sensitive technique for determining the structures of these mesoionic compounds; of particular significance is the N-2 chemical shift, which distinguishes between the presence of either oxygen or sulphur in position 1. Cyclic structures are confirmed for these compounds on the basis of the nitrogen chemical shifts.
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