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Ligand conformation in lanthanide complexes by NMR paramagnetic shifts: L ‐proline and L ‐valine
Author(s) -
Mossoyan J.,
Asso M.,
Benlian D.
Publication year - 1980
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.1270130415
Subject(s) - lanthanide , chemistry , paramagnetism , ligand (biochemistry) , pyrrolidine , valine , proline , molecule , crystallography , stereochemistry , amino acid , ion , physics , organic chemistry , biochemistry , receptor , quantum mechanics
A fitting procedure is descdribede to establish the conformation and molecular dynamics of flexible molecules co‐ordinated to lanthanide cations from NMR paramagnetic shift data of 1 H and 13 C resonances. The results from L ‐proline and L ‐valine in aqueous solution at low pH values are consistent with peak assignments given by independent methods. A free rotation of the pyrrolidine ring is proposed in the case of L ‐proline, and a rigid lock in the case of L ‐valine, and angle and distance values are given for the cation and ligand positions in the complex.