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NMR study of polycrystalline azoles
Author(s) -
Zavelsky Vladimir O.,
Babin Valerii N.,
Vysokovskaya Mariya S.,
Fedin Erlen I.
Publication year - 1991
Publication title -
journal of physical organic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.325
H-Index - 66
eISSN - 1099-1395
pISSN - 0894-3230
DOI - 10.1002/poc.610040503
Subject(s) - chemistry , unpaired electron , dipole , imidazole , pyrazole , computational chemistry , proton nmr , crystallite , nuclear magnetic resonance spectroscopy , spectroscopy , crystallography , stereochemistry , photochemistry , molecule , organic chemistry , physics , quantum mechanics
Abstract Polycrystalline pyrazole, imidazole and benzotriazole were investigated by 1 H and 2 H NMR spectroscopy. In addition to the usual broad line of the 1 H NMR signal due to the dipole‐dipole interaction, a significantly narrowed component (δν = 1–2 kHz) of a complex triplet structure was detected in all three compounds. To interpret this observation, a mechanism with virtually complete averaging of the dipole‐dipole interaction for a small part of the sample protons is suggested. The mechanism is based on proton interaction with the unpaired electron of a short‐lived radical of the type Az · or (H–Az · –H).