Premium
Lanthanide‐induced shifts in the structural elucidation of β‐hydroxydecalones
Author(s) -
Schenato Rossana A.,
dos Santos Éverton M.,
Gonçalves Paulo F. B.,
Tenius Beatriz S. M.,
de Oliveira Eduardo R.,
Caracelli Ignez,
ZukermanSchpector Julio
Publication year - 2003
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.1128
Subject(s) - lanthanide , chemistry , axial symmetry , ion , position (finance) , computational chemistry , spectral line , stereochemistry , nmr spectra database , crystallography , organic chemistry , geometry , quantum mechanics , physics , mathematics , finance , economics
The use of Eu(fod) 3 in the analysis of the 1 H and 13 C NMR spectra of cis and trans ‐fused β‐hydroxydecalones is described. The relative configuration of the substituents is discussed using the PMLIS algorithm to determine the lanthanide (Eu) ion position in the complex in an effective axially symmetric model. The conformations of two cis ‐decalones are also discussed. Copyright © 2002 John Wiley & Sons, Ltd.