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Correlation of para substituent carbon‐13 chemical shifts in aromatic compounds using polar (inductive) and resonance constants which are identical for aliphatic and aromatic compounds
Author(s) -
Afanas'ev I. B.,
Trojanker V. L.
Publication year - 1982
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.1270180106
Subject(s) - substituent , chemical shift , chemistry , resonance (particle physics) , polar , inductive effect , computational chemistry , aromaticity , organic chemistry , molecule , physics , quantum mechanics
A correlation of para substituted 13 C chemical shifts in aromatic compounds with substituent polar (inductive) and resonance constants σ* and σ r of aliphatic compounds has been studied. It has been shown that the precision of the correlations obtained corresponds to that of the Swain‐Lupton and Taft two‐parameter equations, but the correlation equation used in this work seems to permit a more exact separation of the substituent effects of aromatic compounds into inductive and resonance contributions. Thus, σ* and σ r substituent constants are universal parameters which can be used in a correlation analysis of the properties of both aliphatic and aromatic compounds.