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Prototropic tautomerism of 5‐aryloxy‐1(2) H ‐tetrazoles
Author(s) -
Alkorta Ibon,
Elguero José
Publication year - 2012
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.2866
Subject(s) - tautomer , chemistry , computational chemistry , medicinal chemistry , stereochemistry
The structure of 5‐(2,6‐dimethylphenoxy)‐1 H ‐ and 2 H ‐tetrazoles together with those of 5‐(2,6‐diisopropyl‐phenoxy)‐1 H and 2 H ‐tetrazoles have been theoretically studied including absolute shieldings and energies. The conclusion of these studies is that a slow tautomerism between 1 H ‐ and 2 H ‐tetrazoles cannot explain the experimental observations reported recently in the literature. Copyright © 2012 John Wiley & Sons, Ltd.