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An indo investigation of magnetic resonance constants of azaaromatic systems
Author(s) -
Galasso V.
Publication year - 1974
Publication title -
organic magnetic resonance
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0030-4921
DOI - 10.1002/mrc.1270060103
Subject(s) - coupling constant , isoquinoline , hyperfine coupling , quadrupole , quinoline , acridine , chemistry , hyperfine structure , pyridine , nuclear magnetic resonance , nuclear quadrupole resonance , computational chemistry , atomic physics , physics , stereochemistry , medicinal chemistry , organic chemistry , quantum mechanics
INDO–MO calculations have been performed on the ESR hyperfine coupling constants of the pyridinyl radical and the radical anions of pyrimidine, quinoline, isoquinoline, acridine and benzcinnoline. The nuclear spin coupling constants and the 14 N nuclear quadrupole coupling constant of pyridine have also been calculated. In general, calculated values are in satisfactory agreement with the experimental data.