## Abstract ^1^H, ^13^C, ^14^N and ^15^N NMR methods were applied to the study of some Type A mesoionic 1,3‐diphenyltetrazoles with various exocyclic groups. The ring structures of these tetrazoles are confirmed by the nitrogen NMR data. The shielding of N‐4 increases consecutively by amounts of __
Multinuclear magnetic resonance study of some mesoionic 1,3,4-triazoles
✍ Scribed by Wojciech Bocian; Jaroslaw Jaźwiński; Lech Stefaniak; Graham A. Webb
- Publisher
- John Wiley and Sons
- Year
- 1995
- Tongue
- English
- Weight
- 293 KB
- Volume
- 33
- Category
- Article
- ISSN
- 0749-1581
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✦ Synopsis
Abstract
^1^H, ^13^C, ^14^N and ^15^N NMR data are reported for a series of mesoinoic 1,3,4‐triazoles and some of their salts. The results obtained show that the molecules studied exist in the cyclic mesoionic form with delocalization of the positive charge over the ring atoms. The corresponding negative charge occurs on the atoms of the exocyclic groups, which also act as the site of protonation and salt formation. The most important experimental data for these interpretations are found to be the nitrogen shieldings and that for C‐5.
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The uC NMR spectra of three mesoionic 1,2,3-triazol-4-ylacetamides and two 1,2,3-triazol-4-ones were determined, and an evaluation of the shifts in relation to their mesoionic structure was made. A h e a r correlation between the I3C resonances and net charge densities, calculated by the CNDO/% meth
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