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A statistical study of the additivity of substituent effects on the 5 J (HH) long‐range coupling constant of the formyl proton in substituted benzaldehydes
Author(s) -
Kolehmainen E.,
Knuutinen J.,
Salovaara P. J.
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.1270200319
Subject(s) - substituent , additive function , benzaldehyde , chemistry , coupling constant , proton , ring (chemistry) , spin (aerodynamics) , coupling (piping) , computational chemistry , medicinal chemistry , stereochemistry , organic chemistry , physics , thermodynamics , mathematics , quantum mechanics , materials science , mathematical analysis , metallurgy , catalysis
The additivity of chloro and hydroxy substituent effects on the formyl proton spin‐spin coupling constants with the meta ring proton, 5 J (HH), has been tested with 15 chlorinated benzaldehydes and hydroxybenzaldehydes by multiple linear regression analysis. No general additivity rule was detected with whole data. Using benzaldehyde as the reference substance, a good correlation was achieved for p‐hydroxybenzaldehydes. The same reference compound was not suitable for o ‐hydroxy derivatives; a much better correlation was observed using o ‐hydroxybenzaldehyde as a reference compound in the latter case.