Premium
13 C NMR of acyclic sulphonated compounds including some fluorosulphonic acids: A chemical shift study
Author(s) -
Canselier J. P.,
Boyer J. L.,
Castro V.,
Card G. L.,
Mohtasham J.,
Peyton D. H.,
Behr F. E.
Publication year - 1995
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.1260330703
Subject(s) - chemistry , electronegativity , chemical shift , nmr spectra database , alkali metal , molecule , computational chemistry , coupling constant , spectral line , stereochemistry , organic chemistry , physics , particle physics , astronomy
A chemical shift analysis of the 13 C NMR spectra of more than 50 acyclic sulphonic acids, alkali metal sulphonates and methyl esters was carried out. Chemical shift increment systems with n ‐alkanes as reference molecules were established for linear alkanesulphonates and alk‐2‐enesulphonates. Some short‐chain fluorinated sulphonic acids were also studied, especially pentafluorothio derivatives. CF spin‐spin coupling constants were determined. Pauling electronegativity values for SO 3 H and SF 5 groups were derived from α chemical shift increments.