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Carbon‐13 NMR spectra of imidazole 1‐oxides. Comparison with the parent imidazoles
Author(s) -
Alcázar J.,
de la Hoz A.,
Begtrup M.
Publication year - 1998
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/(sici)1097-458x(199804)36:4<296::aid-omr244>3.0.co;2-d
Subject(s) - chemistry , imidazole , chemical shift , delocalized electron , coupling constant , electron delocalization , carbon 13 nmr , spectral line , nmr spectra database , carbon fibers , computational chemistry , inorganic chemistry , organic chemistry , physics , materials science , particle physics , astronomy , composite number , composite material
The 13 C chemical shifts and C–H coupling constants of a series of imidazole 1‐oxides were compared with those of the parent imidazoles and imidazolium salts in order to show the influence of N ‐oxidation on these parameters. The 13 C chemical shifts can be related to the electron density at the carbon atoms whereas long range C–H coupling constants can be related to the relative localization or delocalization of the π system in imidazoles, imidazolium salts and imidazole N ‐oxides. ©1998 John Wiley & Sons, Ltd.