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 | Zendy

Kolehmainen E. | Zendy; Knuutinen J. | Zendy; Salovaara P. J. | Zendy

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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.

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