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Spin—spin couplings between 13 C nuclei in five‐membered heteroaromatic ring systems
Author(s) -
Witanowski Michal,
Biedrzycka Zenobia
Publication year - 1994
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.1260320113
Subject(s) - chemistry , ring (chemistry) , oxazole , spin (aerodynamics) , coupling constant , aromaticity , molecule , thiazole , computational chemistry , crystallography , stereochemistry , organic chemistry , particle physics , physics , thermodynamics
A set of 14 1 J (CC) spin—spin coupling constants are reported for 11 five‐membered heteroaromatic molecules, including all relevant diazole, triazole, oxazole, oxadiazole, thiazole and thiadiazole systems. The couplings show a clear distinction between carbon—carbon bonds which are formally double or single, respectively. There seems to be no correlation of the couplings with the bond lengths concerned, in spite of some apparent trends. Potential applications of the couplings are discussed in assessing the aromaticity of five‐membered heterocycles.