NMR study of polycrystalline azoles | Zendy

Zavelsky Vladimir O. | Zendy; Babin Valerii N. | Zendy; Vysokovskaya Mariya S. | Zendy; Fedin Erlen I. | Zendy

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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

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).

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