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Oxygen‐17 NMR study on substituted α, α, α‐trifluoroacetophenones
Author(s) -
Liu KwangTing,
Wu TsengRong,
Lin YingChih
Publication year - 1989
Publication title -
journal of physical organic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.325
H-Index - 66
eISSN - 1099-1395
pISSN - 0894-3230
DOI - 10.1002/poc.610020408
Subject(s) - chemistry , substituent , linear correlation , oxygen , correlation coefficient , linear relationship , proton nmr , computational chemistry , analytical chemistry (journal) , organic chemistry , statistics , mathematics
An excellent linear correlation of oxygen‐17 substituent chemical shifts (SCS) for twelve α, α, α‐trifluoroacetophenones with single σ + constants, δ = 24·6σ + + 556·3 (correlation coefficient 0·998) has been observed. However, from this plot, an SCS of 34·3 ppm for 1,1,1‐trifluoroacetone will give a corresponding σ + (γ + ) value of 1·44 for a methyl group, which is not in agreement with 0·63–0·79 obtained from solvolytic rate data.