13C NMR study of D‐pantothenic acid complexes with heavy lanthanide ions in aqueous solution

Ji‐Min ‐M Ren, Feng‐Kui ‐K Pei, Wen‐Yun ‐Y Wang

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The 13C NMR study of the interaction between the trivalent lanthanide ions (from Dy to Lu) and D‐pantothenic acid in aqueous solution was presented. The unambiguous resonance assignments were made on the basis of pH dependence and the analysis of molecular geometry. 13C paramagnetic shifts were separated into the contact and dipolar components by Reilley's method. The complex stability constant is 12.0 L / mol for the 1:1 ytterbium complex. An analysis of the shift data shows that heavy lanthanide ions form isostructural complexes with the substrate and the hyperfine coupling constant is independent of the ions used in the study. D‐pantothenic acid is coordinated to the metal via the two oxygens of the carboxyl group with 2.25Å of Ln—O distances. The electron spin density distribution and the structural details of the complex were elucidated from the shift data. It is stated that contact contributions, while small for nuclei of several bonds away from the metal, should not be dismissed a priori.

Original languageEnglish (US)
Pages (from-to)212-221
Number of pages10
JournalChinese Journal of Chemistry
Issue number3
Publication statusPublished - 1991


ASJC Scopus subject areas

  • Chemistry(all)

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