Premium
Investigation of the 31 P NMR chemical shift dependence of phosphoryl compounds on the inductive and resonance effects of substituents
Author(s) -
Rezvukhin A. I.,
Dolenko G. N.,
Krupoder S. A.
Publication year - 1985
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.1260230402
Subject(s) - chemistry , inductive effect , chemical shift , halogen , resonance (particle physics) , atom (system on chip) , computational chemistry , nuclear magnetic resonance spectroscopy , stereochemistry , organic chemistry , atomic physics , alkyl , physics , computer science , embedded system
Linear dual‐parameter equations relating the 31 P NMR chemical shifts in a series of phosphoryl compounds XYZP = O (X, Y, Z = various organic substituents or halogens) with the sums of inductive (σ I ) and resonance (σ R O ) constants of the substituents have been obtained. The direction of the influence of the inductive and resonance components of the electron demand of substituents, and their relative contributions to the δ 31P values, have been evaluated. The nature of the resonance contribution is discussed on the basis of the dependence between δ 31P values and the charge characteristics of the phosphorus atom (x‐ray P Kα shifts).