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Determination of stability constants of metal complexes from NMR chemical shifts and relaxation rates using a spreadsheet computer program
Author(s) -
Huskens Jurriaan,
Lammers Hendrik,
van Bekkum Herman,
Peters Joop A.
Publication year - 1994
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.1260321109
Subject(s) - chemistry , potentiometric titration , relaxation (psychology) , metal , nuclear magnetic resonance spectroscopy , lanthanide , stability constants of complexes , electroanalytical method , nmr spectra database , analytical chemistry (journal) , spectral line , stereochemistry , chromatography , organic chemistry , aqueous solution , ion , psychology , social psychology , physics , electrode , astronomy
The versatility of multinuclear magnetic resonance techniques in the determination of stability constants of metal complexes is demonstrated for three cases in which potentiometry is impossible or less suitable. The complexation of cyclo‐trimetaphosphate to lanthanide aminopolycarboxylate complexes was investigated in a dilution experiment using 31 P NMR shifts. The stabilities of CdL and CdL 2 [L = 1‐(2‐aminoethylamino)‐1‐deoxy‐ D ‐galactitol] were determined by 113 Cd NMR speciation, in which the occurring species were in slow exchange. Competition experiments using both 31 P NMR shifts and 13 C and 31 P relaxation rate enhancements were performed to determine the stabilities of Nd(NTA)(PPP) and Nd(PPP) 2 (PPP = tripolyphosphate). Where possible, the results were compared with potentiometric data and found to be in good agreement.

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