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Multinuclear magnetic resonance study of some mesoionic 1,3,4‐triazoles
Author(s) -
Bocian Wojciech,
Jaźwiński Jaroslaw,
Stefaniak Lech,
Webb Graham A.
Publication year - 1995
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.1260330209
Subject(s) - mesoionic , chemistry , delocalized electron , protonation , electron delocalization , ring (chemistry) , molecule , computational chemistry , salt (chemistry) , charge (physics) , nitrogen , resonance (particle physics) , nuclear magnetic resonance spectroscopy , crystallography , stereochemistry , medicinal chemistry , organic chemistry , ion , atomic physics , physics , quantum mechanics
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.